5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide;5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]thiophene-2-carboxylic acid;2-(1,3-thiazol-2-yl)ethanamine

C40H38N12O5S4 — CID 167660907

IUPAC5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide;5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]thiophene-2-carboxylic acid;2-(1,3-thiazol-2-yl)ethanamine
SMILESNCCc1nccs1.O=C(NCCc1nccs1)c1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)s1.O=C(O)c1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)s1
InChIInChI=1S/C20H18N6O2S2.C15H12N4O3S.C5H8N2S/c27-18(12-4-5-12)24-20-23-16-3-1-2-13(26(16)25-20)14-6-7-15(30-14)19(28)22-9-8-17-21-10-11-29-17;20-13(8-4-5-8)17-15-16-12-3-1-2-9(19(12)18-15)10-6-7-11(23-10)14(21)22;6-2-1-5-7-3-4-8-5/h1-3,6-7,10-12H,4-5,8-9H2,(H,22,28)(H,24,25,27);1-3,6-8H,4-5H2,(H,21,22)(H,17,18,20);3-4H,1-2,6H2
InChIKeyRYGPRTSEKADAGI-UHFFFAOYSA-N
MW895.09 g/mol
LogP6.38
Rot. Bonds13

About 5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide;5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]thiophene-2-carboxylic acid;2-(1,3-thiazol-2-yl)ethanamine

5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide;5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]thiophene-2-carboxylic acid;2-(1,3-thiazol-2-yl)ethanamine (PubChem CID 167660907) has the molecular formula C40H38N12O5S4 and a molecular weight of 895.09 g/mol. Its IUPAC name is 5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide;5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]thiophene-2-carboxylic acid;2-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide;5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]thiophene-2-carboxylic acid;2-(1,3-thiazol-2-yl)ethanamine
PubChem CID167660907
Molecular FormulaC40H38N12O5S4
Molecular Weight895.09 g/mol
Exact Mass894.20
IUPAC Name5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide;5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]thiophene-2-carboxylic acid;2-(1,3-thiazol-2-yl)ethanamine
SMILESNCCc1nccs1.O=C(NCCc1nccs1)c1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)s1.O=C(O)c1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)s1
InChIInChI=1S/C20H18N6O2S2.C15H12N4O3S.C5H8N2S/c27-18(12-4-5-12)24-20-23-16-3-1-2-13(26(16)25-20)14-6-7-15(30-14)19(28)22-9-8-17-21-10-11-29-17;20-13(8-4-5-8)17-15-16-12-3-1-2-9(19(12)18-15)10-6-7-11(23-10)14(21)22;6-2-1-5-7-3-4-8-5/h1-3,6-7,10-12H,4-5,8-9H2,(H,22,28)(H,24,25,27);1-3,6-8H,4-5H2,(H,21,22)(H,17,18,20);3-4H,1-2,6H2
InChIKeyRYGPRTSEKADAGI-UHFFFAOYSA-N
XLogP6.38
TPSA236.78 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds13
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500895.09
LogP ≤ 56.38
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Analyze 5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide;5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]thiophene-2-carboxylic acid;2-(1,3-thiazol-2-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide
CID 156063074
4-[4-amino-1-[(3R)-1-[(E)-4-[cyclopropyl(methyl)amino]but-2-enoyl]pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]benzoic acid;4-[4-amino-1-[(3R)-1-[(E)-4-[cyclopropyl(methyl)amino]but-2-enoyl]pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-(5-propyl-1,3-thiazol-2-yl)benzamide;5-propyl-1,3-thiazol-2-amine
CID 157213568
4-[4-amino-1-[(3R)-1-[(E)-4-[cyclopropyl(methyl)amino]but-2-enoyl]pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]benzoic acid;4-[4-amino-1-[(3R)-1-[(E)-4-[cyclopropyl(methyl)amino]but-2-enoyl]pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-(5-ethyl-1,3-thiazol-2-yl)benzamide;5-ethyl-1,3-thiazol-2-amine
CID 158286522
4-[4-amino-1-[(3R)-1-[(E)-4-[cyclopropyl(methyl)amino]but-2-enoyl]pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]benzoic acid;4-[4-amino-1-[(3R)-1-[(E)-4-[cyclopropyl(methyl)amino]but-2-enoyl]pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide;5-propan-2-yl-1,3-thiazol-2-amine
CID 158823771
4-[4-amino-1-[(3R)-1-[(E)-4-[cyclopropyl(methyl)amino]but-2-enoyl]pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]benzoic acid;4-[4-amino-1-[(3R)-1-[(E)-4-[cyclopropyl(methyl)amino]but-2-enoyl]pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-(1,3-thiazol-2-yl)benzamide;1,3-thiazol-2-amine
CID 158961882
5-[7-(Cyclopropylamino)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxylic acid;5-[7-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxylic acid
CID 159694203
4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N,N-dimethylthiophene-2-carboxamide;4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide;4-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxylic acid;(4E)-4-[[7-(cyclopropylamino)-5-[5-(3-pyridin-3-ylpyrrolidine-1-carbonyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;methyl 4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxylate
CID 160488578
N-(cyclopropylmethyl)-5-(3-formylpyrazolo[1,5-a]pyrimidin-5-yl)thiophene-2-carboxamide;5-(3-formylpyrazolo[1,5-a]pyrimidin-5-yl)thiophene-2-carboxylic acid
CID 160611307
5-[7-(Cyclopropylamino)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxylic acid
CID 160620609
5-[7-(cyclopropylamino)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]-N-(3-methoxypropyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxylic acid
CID 161602053
5-boronothiophene-2-carboxylic acid;N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide;5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]thiophene-2-carboxylic acid;2-(1,3-thiazol-2-yl)ethanamine
CID 167635175

Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide;5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]thiophene-2-carboxylic acid;2-(1,3-thiazol-2-yl)ethanamine?
The IUPAC name of 5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide;5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]thiophene-2-carboxylic acid;2-(1,3-thiazol-2-yl)ethanamine (CID 167660907) is 5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide;5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]thiophene-2-carboxylic acid;2-(1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for 5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide;5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]thiophene-2-carboxylic acid;2-(1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for 5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide;5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]thiophene-2-carboxylic acid;2-(1,3-thiazol-2-yl)ethanamine is NCCc1nccs1.O=C(NCCc1nccs1)c1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)s1.O=C(O)c1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)s1.
What is the InChIKey of 5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide;5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]thiophene-2-carboxylic acid;2-(1,3-thiazol-2-yl)ethanamine?
The InChIKey is RYGPRTSEKADAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2S2.C15H12N4O3S.C5H8N2S/c27-18(12-4-5-12)24-20-23-16-3-1-2-13(26(16)25-20)14-6-7-15(30-14)19(28)22-9-8-17-21-10-11-29-17;20-13(8-4-5-8)17-15-16-12-3-1-2-9(19(12)18-15)10-6-7-11(23-10)14(21)22;6-2-1-5-7-3-4-8-5/h1-3,6-7,10-12H,4-5,8-9H2,(H,22,28)(H,24,25,27);1-3,6-8H,4-5H2,(H,21,22)(H,17,18,20);3-4H,1-2,6H2.
What are the key properties of 5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide;5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]thiophene-2-carboxylic acid;2-(1,3-thiazol-2-yl)ethanamine?
5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide;5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]thiophene-2-carboxylic acid;2-(1,3-thiazol-2-yl)ethanamine has a molecular weight of 895.09 g/mol, XLogP of 6.38, 13 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide;5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]thiophene-2-carboxylic acid;2-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 167660907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).