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

C14H16N4OS — CID 116668929

IUPAC4-amino-2-(cyclopropylamino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
SMILESCc1cccc(NC(=O)c2sc(NC3CC3)nc2N)c1
InChIInChI=1S/C14H16N4OS/c1-8-3-2-4-10(7-8)16-13(19)11-12(15)18-14(20-11)17-9-5-6-9/h2-4,7,9H,5-6,15H2,1H3,(H,16,19)(H,17,18)
InChIKeyOEFVSLWXFJYPHV-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.86
Rot. Bonds4

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

4-amino-2-(cyclopropylamino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 116668929) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is 4-amino-2-(cyclopropylamino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(cyclopropylamino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
PubChem CID116668929
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name4-amino-2-(cyclopropylamino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
SMILESCc1cccc(NC(=O)c2sc(NC3CC3)nc2N)c1
InChIInChI=1S/C14H16N4OS/c1-8-3-2-4-10(7-8)16-13(19)11-12(15)18-14(20-11)17-9-5-6-9/h2-4,7,9H,5-6,15H2,1H3,(H,16,19)(H,17,18)
InChIKeyOEFVSLWXFJYPHV-UHFFFAOYSA-N
XLogP2.86
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-2-(cyclopropylamino)-N-(3-fluoro-5-methylphenyl)-1,3-thiazole-5-carboxamide
CID 116671107
4-amino-N-(3-bromo-5-methylphenyl)-2-(cyclopropylamino)-1,3-thiazole-5-carboxamide
CID 107581248
4-amino-N-(4-chlorophenyl)-2-(cyclopropylamino)-1,3-thiazole-5-carboxamide
CID 116668465
4-amino-2-(cyclobutylamino)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 116668483
4-methyl-2-(methylamino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 110386385
4-methyl-2-(3-methylanilino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 53152765
1-[4-amino-2-(3-methylanilino)-1,3-thiazol-5-yl]ethanone
CID 46285576
2-cyclopropyl-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 110694378
4-amino-2-(cyclobutylamino)-N-(2-iodophenyl)-1,3-thiazole-5-carboxamide
CID 116669276
4-amino-2-(cyclobutylamino)-N-cyclopropyl-1,3-thiazole-5-carboxamide
CID 116667658
[4-amino-2-(3-methylanilino)-1,3-thiazol-5-yl]-(2,4,6-trimethylphenyl)methanone
CID 46285896
4-amino-2-(cyclopropylamino)-N-(3-methylcyclobutyl)-1,3-thiazole-5-carboxamide
CID 116673291

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(cyclopropylamino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(cyclopropylamino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide (CID 116668929) is 4-amino-2-(cyclopropylamino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(cyclopropylamino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(cyclopropylamino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide is Cc1cccc(NC(=O)c2sc(NC3CC3)nc2N)c1.
What is the InChIKey of 4-amino-2-(cyclopropylamino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is OEFVSLWXFJYPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-8-3-2-4-10(7-8)16-13(19)11-12(15)18-14(20-11)17-9-5-6-9/h2-4,7,9H,5-6,15H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 4-amino-2-(cyclopropylamino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide?
4-amino-2-(cyclopropylamino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 288.38 g/mol, XLogP of 2.86, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(cyclopropylamino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116668929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).