5-(cyclopropanecarbonylamino)-N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide

C19H24N4O3S2 — CID 30202076

IUPAC5-(cyclopropanecarbonylamino)-N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESC[C@@H]1CN(Cc2csc(NC(=O)c3ccc(NC(=O)C4CC4)s3)n2)C[C@H](C)O1
InChIInChI=1S/C19H24N4O3S2/c1-11-7-23(8-12(2)26-11)9-14-10-27-19(20-14)22-18(25)15-5-6-16(28-15)21-17(24)13-3-4-13/h5-6,10-13H,3-4,7-9H2,1-2H3,(H,21,24)(H,20,22,25)/t11-,12+
InChIKeyIZLYCPTZYCRGRU-TXEJJXNPSA-N
MW420.56 g/mol
LogP3.41
Rot. Bonds6

About 5-(cyclopropanecarbonylamino)-N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide

5-(cyclopropanecarbonylamino)-N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (PubChem CID 30202076) has the molecular formula C19H24N4O3S2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 5-(cyclopropanecarbonylamino)-N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(cyclopropanecarbonylamino)-N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
PubChem CID30202076
Molecular FormulaC19H24N4O3S2
Molecular Weight420.56 g/mol
Exact Mass420.13
IUPAC Name5-(cyclopropanecarbonylamino)-N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESC[C@@H]1CN(Cc2csc(NC(=O)c3ccc(NC(=O)C4CC4)s3)n2)C[C@H](C)O1
InChIInChI=1S/C19H24N4O3S2/c1-11-7-23(8-12(2)26-11)9-14-10-27-19(20-14)22-18(25)15-5-6-16(28-15)21-17(24)13-3-4-13/h5-6,10-13H,3-4,7-9H2,1-2H3,(H,21,24)(H,20,22,25)/t11-,12+
InChIKeyIZLYCPTZYCRGRU-TXEJJXNPSA-N
XLogP3.41
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-(cyclopropanecarbonylamino)-N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide 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

N-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 30216768
5-acetamido-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 24586725
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 51324198
4-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide
CID 55507882
5-chloro-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 43041573
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-(2,5-dimethylpyrrol-1-yl)thiophene-3-carboxamide
CID 112807851
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-9H-xanthene-9-carboxamide
CID 42933445
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-5-methyl-4-nitrothiophene-2-carboxamide
CID 55575594
3-(dimethylamino)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 47018230
N-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 30196157
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2,5-dimethylfuran-3-carboxamide
CID 134055791
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 51324227

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropanecarbonylamino)-N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of 5-(cyclopropanecarbonylamino)-N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (CID 30202076) is 5-(cyclopropanecarbonylamino)-N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(cyclopropanecarbonylamino)-N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-(cyclopropanecarbonylamino)-N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is C[C@@H]1CN(Cc2csc(NC(=O)c3ccc(NC(=O)C4CC4)s3)n2)C[C@H](C)O1.
What is the InChIKey of 5-(cyclopropanecarbonylamino)-N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The InChIKey is IZLYCPTZYCRGRU-TXEJJXNPSA-N. The full InChI is InChI=1S/C19H24N4O3S2/c1-11-7-23(8-12(2)26-11)9-14-10-27-19(20-14)22-18(25)15-5-6-16(28-15)21-17(24)13-3-4-13/h5-6,10-13H,3-4,7-9H2,1-2H3,(H,21,24)(H,20,22,25)/t11-,12+.
What are the key properties of 5-(cyclopropanecarbonylamino)-N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
5-(cyclopropanecarbonylamino)-N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 420.56 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropanecarbonylamino)-N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 30202076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).