4-amino-N-(2-methylsulfanylphenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide

C14H18N4OS2 — CID 107647427

IUPAC4-amino-N-(2-methylsulfanylphenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
SMILESCCCNc1nc(N)c(C(=O)Nc2ccccc2SC)s1
InChIInChI=1S/C14H18N4OS2/c1-3-8-16-14-18-12(15)11(21-14)13(19)17-9-6-4-5-7-10(9)20-2/h4-7H,3,8,15H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyVFTNWCAIHVAEBS-UHFFFAOYSA-N
MW322.46 g/mol
LogP3.52
Rot. Bonds6

About 4-amino-N-(2-methylsulfanylphenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide

4-amino-N-(2-methylsulfanylphenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide (PubChem CID 107647427) has the molecular formula C14H18N4OS2 and a molecular weight of 322.46 g/mol. Its IUPAC name is 4-amino-N-(2-methylsulfanylphenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-methylsulfanylphenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
PubChem CID107647427
Molecular FormulaC14H18N4OS2
Molecular Weight322.46 g/mol
Exact Mass322.09
IUPAC Name4-amino-N-(2-methylsulfanylphenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
SMILESCCCNc1nc(N)c(C(=O)Nc2ccccc2SC)s1
InChIInChI=1S/C14H18N4OS2/c1-3-8-16-14-18-12(15)11(21-14)13(19)17-9-6-4-5-7-10(9)20-2/h4-7H,3,8,15H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyVFTNWCAIHVAEBS-UHFFFAOYSA-N
XLogP3.52
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-(5-fluoro-2-methylphenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116668663
4-amino-N-(4-methyl-3-pyridinyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116666120
4-amino-N-(5-bromo-2-methylphenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116670549
4-amino-N-(2-bromo-6-fluorophenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 107605084
4-amino-N-(1-methylsulfanylpropan-2-yl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116673320
4-amino-N-(2-bromophenyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116668499
4-amino-N-(6-methoxy-3-pyridinyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116668346
4-amino-N-[1-(5-methylthiophen-2-yl)ethyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116663820
4-amino-N-hexyl-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116666768
4-amino-2-(propylamino)-N-(2,3,3-trimethylbutyl)-1,3-thiazole-5-carboxamide
CID 116672287
4-amino-2-(tert-butylamino)-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide
CID 116668999
4-amino-N-(3-hydroxy-2-methylpropyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116667150

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-methylsulfanylphenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2-methylsulfanylphenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide (CID 107647427) is 4-amino-N-(2-methylsulfanylphenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2-methylsulfanylphenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2-methylsulfanylphenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide is CCCNc1nc(N)c(C(=O)Nc2ccccc2SC)s1.
What is the InChIKey of 4-amino-N-(2-methylsulfanylphenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is VFTNWCAIHVAEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS2/c1-3-8-16-14-18-12(15)11(21-14)13(19)17-9-6-4-5-7-10(9)20-2/h4-7H,3,8,15H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 4-amino-N-(2-methylsulfanylphenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-(2-methylsulfanylphenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 322.46 g/mol, XLogP of 3.52, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-methylsulfanylphenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 107647427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).