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

C14H15BrN4OS — CID 107581248

IUPAC4-amino-N-(3-bromo-5-methylphenyl)-2-(cyclopropylamino)-1,3-thiazole-5-carboxamide
SMILESCc1cc(Br)cc(NC(=O)c2sc(NC3CC3)nc2N)c1
InChIInChI=1S/C14H15BrN4OS/c1-7-4-8(15)6-10(5-7)17-13(20)11-12(16)19-14(21-11)18-9-2-3-9/h4-6,9H,2-3,16H2,1H3,(H,17,20)(H,18,19)
InChIKeyGZISCSAVIPZEDA-UHFFFAOYSA-N
MW367.27 g/mol
LogP3.62
Rot. Bonds4

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

4-amino-N-(3-bromo-5-methylphenyl)-2-(cyclopropylamino)-1,3-thiazole-5-carboxamide (PubChem CID 107581248) has the molecular formula C14H15BrN4OS and a molecular weight of 367.27 g/mol. Its IUPAC name is 4-amino-N-(3-bromo-5-methylphenyl)-2-(cyclopropylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-bromo-5-methylphenyl)-2-(cyclopropylamino)-1,3-thiazole-5-carboxamide
PubChem CID107581248
Molecular FormulaC14H15BrN4OS
Molecular Weight367.27 g/mol
Exact Mass366.01
IUPAC Name4-amino-N-(3-bromo-5-methylphenyl)-2-(cyclopropylamino)-1,3-thiazole-5-carboxamide
SMILESCc1cc(Br)cc(NC(=O)c2sc(NC3CC3)nc2N)c1
InChIInChI=1S/C14H15BrN4OS/c1-7-4-8(15)6-10(5-7)17-13(20)11-12(16)19-14(21-11)18-9-2-3-9/h4-6,9H,2-3,16H2,1H3,(H,17,20)(H,18,19)
InChIKeyGZISCSAVIPZEDA-UHFFFAOYSA-N
XLogP3.62
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.27
LogP ≤ 53.62
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-2-(cyclopropylamino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 116668929
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-amino-2-(cyclobutylamino)-N-cyclopropyl-1,3-thiazole-5-carboxamide
CID 116667658
4-amino-2-(cyclopropylamino)-N-(3-methylcyclobutyl)-1,3-thiazole-5-carboxamide
CID 116673291
4-amino-2-(cyclopropylamino)-N-(3,5-dimethylcyclohexyl)-1,3-thiazole-5-carboxamide
CID 116667070
4-amino-2-(cyclopropylamino)-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide
CID 116669844
5-amino-N-(3-bromo-5-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 107578608
4-amino-N-[2-(carbamoylamino)ethyl]-2-(cyclopropylamino)-1,3-thiazole-5-carboxamide
CID 116672311
4-amino-2-(cyclopropylamino)-N-(2,3-dimethylbutyl)-1,3-thiazole-5-carboxamide
CID 116666984
4-amino-2-(cyclopropylamino)-N-octyl-1,3-thiazole-5-carboxamide
CID 116672019

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-bromo-5-methylphenyl)-2-(cyclopropylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(3-bromo-5-methylphenyl)-2-(cyclopropylamino)-1,3-thiazole-5-carboxamide (CID 107581248) is 4-amino-N-(3-bromo-5-methylphenyl)-2-(cyclopropylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(3-bromo-5-methylphenyl)-2-(cyclopropylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(3-bromo-5-methylphenyl)-2-(cyclopropylamino)-1,3-thiazole-5-carboxamide is Cc1cc(Br)cc(NC(=O)c2sc(NC3CC3)nc2N)c1.
What is the InChIKey of 4-amino-N-(3-bromo-5-methylphenyl)-2-(cyclopropylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is GZISCSAVIPZEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4OS/c1-7-4-8(15)6-10(5-7)17-13(20)11-12(16)19-14(21-11)18-9-2-3-9/h4-6,9H,2-3,16H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 4-amino-N-(3-bromo-5-methylphenyl)-2-(cyclopropylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-(3-bromo-5-methylphenyl)-2-(cyclopropylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 367.27 g/mol, XLogP of 3.62, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-bromo-5-methylphenyl)-2-(cyclopropylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 107581248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).