5-(cyclopropanecarbonylamino)-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]thiophene-2-carboxamide

C20H19N3O2S2 — CID 16582598

IUPAC5-(cyclopropanecarbonylamino)-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]thiophene-2-carboxamide
SMILESCc1ccc(Cn2ccs/c2=N\C(=O)c2ccc(NC(=O)C3CC3)s2)cc1
InChIInChI=1S/C20H19N3O2S2/c1-13-2-4-14(5-3-13)12-23-10-11-26-20(23)22-19(25)16-8-9-17(27-16)21-18(24)15-6-7-15/h2-5,8-11,15H,6-7,12H2,1H3,(H,21,24)/b22-20-
InChIKeyARSJMSBVZUHPCB-XDOYNYLZSA-N
MW397.53 g/mol
LogP4.06
Rot. Bonds5

About 5-(cyclopropanecarbonylamino)-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]thiophene-2-carboxamide

5-(cyclopropanecarbonylamino)-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]thiophene-2-carboxamide (PubChem CID 16582598) has the molecular formula C20H19N3O2S2 and a molecular weight of 397.53 g/mol. Its IUPAC name is 5-(cyclopropanecarbonylamino)-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(cyclopropanecarbonylamino)-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]thiophene-2-carboxamide
PubChem CID16582598
Molecular FormulaC20H19N3O2S2
Molecular Weight397.53 g/mol
Exact Mass397.09
IUPAC Name5-(cyclopropanecarbonylamino)-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]thiophene-2-carboxamide
SMILESCc1ccc(Cn2ccs/c2=N\C(=O)c2ccc(NC(=O)C3CC3)s2)cc1
InChIInChI=1S/C20H19N3O2S2/c1-13-2-4-14(5-3-13)12-23-10-11-26-20(23)22-19(25)16-8-9-17(27-16)21-18(24)15-6-7-15/h2-5,8-11,15H,6-7,12H2,1H3,(H,21,24)/b22-20-
InChIKeyARSJMSBVZUHPCB-XDOYNYLZSA-N
XLogP4.06
TPSA63.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.53
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(cyclopropanecarbonylamino)-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]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

4-fluoro-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]benzamide
CID 7930627
N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 16561302
[2-[[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxoethyl] cyclobutanecarboxylate
CID 8019485
4-(2,5-dioxopyrrolidin-1-yl)-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]benzamide
CID 16546204
N-[5-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide
CID 18209373
N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 154858750
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]acetamide
CID 16560809
cis-(1S,2R)-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-2-nitrocyclopropane-1-carboxamide
CID 51950675
cis-(1R,2S)-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-2-nitrocyclopropane-1-carboxamide
CID 51950672
[2-[[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxoethyl] (1R,5R)-9-oxobicyclo[3.3.1]nonane-3-carboxylate
CID 98421146
N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-4-oxo-3H-phthalazine-1-carboxamide
CID 24653558
[2-[[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxoethyl] 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 18556646

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropanecarbonylamino)-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]thiophene-2-carboxamide?
The IUPAC name of 5-(cyclopropanecarbonylamino)-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]thiophene-2-carboxamide (CID 16582598) is 5-(cyclopropanecarbonylamino)-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]thiophene-2-carboxamide.
What is the SMILES notation for 5-(cyclopropanecarbonylamino)-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]thiophene-2-carboxamide?
The canonical SMILES for 5-(cyclopropanecarbonylamino)-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]thiophene-2-carboxamide is Cc1ccc(Cn2ccs/c2=N\C(=O)c2ccc(NC(=O)C3CC3)s2)cc1.
What is the InChIKey of 5-(cyclopropanecarbonylamino)-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]thiophene-2-carboxamide?
The InChIKey is ARSJMSBVZUHPCB-XDOYNYLZSA-N. The full InChI is InChI=1S/C20H19N3O2S2/c1-13-2-4-14(5-3-13)12-23-10-11-26-20(23)22-19(25)16-8-9-17(27-16)21-18(24)15-6-7-15/h2-5,8-11,15H,6-7,12H2,1H3,(H,21,24)/b22-20-.
What are the key properties of 5-(cyclopropanecarbonylamino)-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]thiophene-2-carboxamide?
5-(cyclopropanecarbonylamino)-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]thiophene-2-carboxamide has a molecular weight of 397.53 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropanecarbonylamino)-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]thiophene-2-carboxamide is sourced from PubChem (CID 16582598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).