4-amino-3-(cyclohexylmethyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide

C11H17N3OS2 — CID 171423915

IUPAC4-amino-3-(cyclohexylmethyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1sc(=S)n(CC2CCCCC2)c1N
InChIInChI=1S/C11H17N3OS2/c12-9-8(10(13)15)17-11(16)14(9)6-7-4-2-1-3-5-7/h7H,1-6,12H2,(H2,13,15)
InChIKeyIOABCRWDMCDTEN-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.54
Rot. Bonds3

About 4-amino-3-(cyclohexylmethyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide

4-amino-3-(cyclohexylmethyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide (PubChem CID 171423915) has the molecular formula C11H17N3OS2 and a molecular weight of 271.41 g/mol. Its IUPAC name is 4-amino-3-(cyclohexylmethyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-3-(cyclohexylmethyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
PubChem CID171423915
Molecular FormulaC11H17N3OS2
Molecular Weight271.41 g/mol
Exact Mass271.08
IUPAC Name4-amino-3-(cyclohexylmethyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1sc(=S)n(CC2CCCCC2)c1N
InChIInChI=1S/C11H17N3OS2/c12-9-8(10(13)15)17-11(16)14(9)6-7-4-2-1-3-5-7/h7H,1-6,12H2,(H2,13,15)
InChIKeyIOABCRWDMCDTEN-UHFFFAOYSA-N
XLogP2.54
TPSA74.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.54
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

3-amino-5-[cyclohexylmethyl(methyl)amino]-4-cyclopropylthiophene-2-carboxamide
CID 103417931
3-amino-5-[cyclopentylmethyl(methyl)amino]-4-methylsulfanylthiophene-2-carboxamide
CID 103422116
1-(cyclohexylmethyl)pyrazole-3-carboxamide
CID 173124048
2-[[4-(cyclohexylmethyl)-5-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 43371621
1-(cyclohexylmethyl)-2,5-dimethyl-4-(2-methylphenyl)pyrrole-3-carboxamide
CID 3869048
2-cyclodecylacetamide
CID 150110792
sodium 2-[5-carbamoyl-9-(cyclohexylmethyl)carbazol-4-yl]oxyacetate
CID 25034675
ethyl 1-(cyclohexylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 90379201
4-cyclohexyl-2-oxobutanamide
CID 69253318
4-amino-3-cyclohexylthiophene-2-carboxamide
CID 174760123
3,4-diamino-5-(cyclopentylamino)thiophene-2-carboxamide
CID 70956563
5-(4-chloro-2-methylphenyl)-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide
CID 142919716

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(cyclohexylmethyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-3-(cyclohexylmethyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide (CID 171423915) is 4-amino-3-(cyclohexylmethyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-3-(cyclohexylmethyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-3-(cyclohexylmethyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide is NC(=O)c1sc(=S)n(CC2CCCCC2)c1N.
What is the InChIKey of 4-amino-3-(cyclohexylmethyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The InChIKey is IOABCRWDMCDTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS2/c12-9-8(10(13)15)17-11(16)14(9)6-7-4-2-1-3-5-7/h7H,1-6,12H2,(H2,13,15).
What are the key properties of 4-amino-3-(cyclohexylmethyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
4-amino-3-(cyclohexylmethyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide has a molecular weight of 271.41 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(cyclohexylmethyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 171423915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).