4-amino-N-cyclopentyl-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide

C16H19N3OS2 — CID 46287522

IUPAC4-amino-N-cyclopentyl-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
SMILESCc1ccc(-n2c(N)c(C(=O)NC3CCCC3)sc2=S)cc1
InChIInChI=1S/C16H19N3OS2/c1-10-6-8-12(9-7-10)19-14(17)13(22-16(19)21)15(20)18-11-4-2-3-5-11/h6-9,11H,2-5,17H2,1H3,(H,18,20)
InChIKeyATZOGPGWUBOPMN-UHFFFAOYSA-N
MW333.48 g/mol
LogP3.83
Rot. Bonds3

About 4-amino-N-cyclopentyl-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide

4-amino-N-cyclopentyl-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide (PubChem CID 46287522) has the molecular formula C16H19N3OS2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 4-amino-N-cyclopentyl-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-cyclopentyl-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
PubChem CID46287522
Molecular FormulaC16H19N3OS2
Molecular Weight333.48 g/mol
Exact Mass333.10
IUPAC Name4-amino-N-cyclopentyl-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
SMILESCc1ccc(-n2c(N)c(C(=O)NC3CCCC3)sc2=S)cc1
InChIInChI=1S/C16H19N3OS2/c1-10-6-8-12(9-7-10)19-14(17)13(22-16(19)21)15(20)18-11-4-2-3-5-11/h6-9,11H,2-5,17H2,1H3,(H,18,20)
InChIKeyATZOGPGWUBOPMN-UHFFFAOYSA-N
XLogP3.83
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

[4-amino-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 46287520
3-amino-N-cycloheptyl-5-methyl-1-benzothiophene-2-carboxamide
CID 107932155
N-cyclooctyl-4-methylbenzamide
CID 3995245
N-cyclohexyl-4-methyl-2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1,3-thiazole-5-carboxamide
CID 53100729
N-cycloheptyl-4-(3,5-dimethyl-1,2,4-triazol-4-yl)benzamide
CID 22583363
N-cyclohexyl-2-[[6-methyl-3-(4-methylphenyl)-7-oxo-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]acetamide
CID 27509821
4-amino-3-(2-methylphenyl)-N-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
CID 3656404
N-cyclobutyl-4-methylbenzamide
CID 23530676
N-cyclooctyl-1-(4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 941051
5-chloro-N-cyclohexyl-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 58433770
5-N-cycloheptyl-2-N-(4-methylphenyl)-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46353871
ethyl 4-[4-amino-5-(2-phenylethylcarbamoyl)-2-sulfanylidene-1,3-thiazol-3-yl]benzoate
CID 3312116

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopentyl-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-cyclopentyl-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide (CID 46287522) is 4-amino-N-cyclopentyl-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-cyclopentyl-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-cyclopentyl-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide is Cc1ccc(-n2c(N)c(C(=O)NC3CCCC3)sc2=S)cc1.
What is the InChIKey of 4-amino-N-cyclopentyl-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The InChIKey is ATZOGPGWUBOPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS2/c1-10-6-8-12(9-7-10)19-14(17)13(22-16(19)21)15(20)18-11-4-2-3-5-11/h6-9,11H,2-5,17H2,1H3,(H,18,20).
What are the key properties of 4-amino-N-cyclopentyl-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
4-amino-N-cyclopentyl-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide has a molecular weight of 333.48 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopentyl-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 46287522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).