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

C13H13ClN4OS — CID 116668465

IUPAC4-amino-N-(4-chlorophenyl)-2-(cyclopropylamino)-1,3-thiazole-5-carboxamide
SMILESNc1nc(NC2CC2)sc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H13ClN4OS/c14-7-1-3-8(4-2-7)16-12(19)10-11(15)18-13(20-10)17-9-5-6-9/h1-4,9H,5-6,15H2,(H,16,19)(H,17,18)
InChIKeyLGADXQCMRHAVFU-UHFFFAOYSA-N
MW308.79 g/mol
LogP3.21
Rot. Bonds4

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

4-amino-N-(4-chlorophenyl)-2-(cyclopropylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116668465) has the molecular formula C13H13ClN4OS and a molecular weight of 308.79 g/mol. Its IUPAC name is 4-amino-N-(4-chlorophenyl)-2-(cyclopropylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-chlorophenyl)-2-(cyclopropylamino)-1,3-thiazole-5-carboxamide
PubChem CID116668465
Molecular FormulaC13H13ClN4OS
Molecular Weight308.79 g/mol
Exact Mass308.05
IUPAC Name4-amino-N-(4-chlorophenyl)-2-(cyclopropylamino)-1,3-thiazole-5-carboxamide
SMILESNc1nc(NC2CC2)sc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H13ClN4OS/c14-7-1-3-8(4-2-7)16-12(19)10-11(15)18-13(20-10)17-9-5-6-9/h1-4,9H,5-6,15H2,(H,16,19)(H,17,18)
InChIKeyLGADXQCMRHAVFU-UHFFFAOYSA-N
XLogP3.21
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-2-(cyclopropylamino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 116668929
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-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116668462
4-amino-2-(cyclobutylamino)-N-cyclopropyl-1,3-thiazole-5-carboxamide
CID 116667658
4-amino-2-(cyclobutylamino)-N-(2-iodophenyl)-1,3-thiazole-5-carboxamide
CID 116669276
4-amino-2-(cyclobutylamino)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 116668483
4-amino-2-(cyclopropylamino)-N-(3-methylcyclobutyl)-1,3-thiazole-5-carboxamide
CID 116673291
4-amino-N-[2-(carbamoylamino)ethyl]-2-(cyclopropylamino)-1,3-thiazole-5-carboxamide
CID 116672311
4-amino-2-(cyclopropylamino)-N-(3,5-dimethylcyclohexyl)-1,3-thiazole-5-carboxamide
CID 116667070
4-amino-2-(cyclopropylamino)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,3-thiazole-5-carboxamide
CID 116671757
4-amino-2-(cyclopropylamino)-N-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 116670620

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-chlorophenyl)-2-(cyclopropylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(4-chlorophenyl)-2-(cyclopropylamino)-1,3-thiazole-5-carboxamide (CID 116668465) is 4-amino-N-(4-chlorophenyl)-2-(cyclopropylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(4-chlorophenyl)-2-(cyclopropylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(4-chlorophenyl)-2-(cyclopropylamino)-1,3-thiazole-5-carboxamide is Nc1nc(NC2CC2)sc1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 4-amino-N-(4-chlorophenyl)-2-(cyclopropylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is LGADXQCMRHAVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4OS/c14-7-1-3-8(4-2-7)16-12(19)10-11(15)18-13(20-10)17-9-5-6-9/h1-4,9H,5-6,15H2,(H,16,19)(H,17,18).
What are the key properties of 4-amino-N-(4-chlorophenyl)-2-(cyclopropylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-(4-chlorophenyl)-2-(cyclopropylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 308.79 g/mol, XLogP of 3.21, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-chlorophenyl)-2-(cyclopropylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116668465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).