4-amino-N-(4-bromo-2-chlorophenyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide

C13H14BrClN4OS — CID 116669374

IUPAC4-amino-N-(4-bromo-2-chlorophenyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
SMILESCC(C)Nc1nc(N)c(C(=O)Nc2ccc(Br)cc2Cl)s1
InChIInChI=1S/C13H14BrClN4OS/c1-6(2)17-13-19-11(16)10(21-13)12(20)18-9-4-3-7(14)5-8(9)15/h3-6H,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyFCNSXOFZUJWQAJ-UHFFFAOYSA-N
MW389.71 g/mol
LogP4.21
Rot. Bonds4

About 4-amino-N-(4-bromo-2-chlorophenyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide

4-amino-N-(4-bromo-2-chlorophenyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116669374) has the molecular formula C13H14BrClN4OS and a molecular weight of 389.71 g/mol. Its IUPAC name is 4-amino-N-(4-bromo-2-chlorophenyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-bromo-2-chlorophenyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
PubChem CID116669374
Molecular FormulaC13H14BrClN4OS
Molecular Weight389.71 g/mol
Exact Mass387.98
IUPAC Name4-amino-N-(4-bromo-2-chlorophenyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
SMILESCC(C)Nc1nc(N)c(C(=O)Nc2ccc(Br)cc2Cl)s1
InChIInChI=1S/C13H14BrClN4OS/c1-6(2)17-13-19-11(16)10(21-13)12(20)18-9-4-3-7(14)5-8(9)15/h3-6H,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyFCNSXOFZUJWQAJ-UHFFFAOYSA-N
XLogP4.21
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.71
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(5-bromo-2-methylphenyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116670547
4-amino-N-(2-bromo-5-methylphenyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116672031
4-amino-N-(2,5-difluorophenyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116668151
4-amino-N-(2-chloro-4-iodophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 107605093
4-amino-N-(2,6-difluorophenyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116669233
4-amino-N-(5-bromo-2-methylphenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116670549
4-bromo-2-chloro-N-propan-2-ylaniline
CID 43236856
4-amino-N-(1-phenylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116667931
4-amino-N-(1-methylcyclopropyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116672710
3-(4-bromo-2-chloroanilino)-2-methylbutanoic acid
CID 79392052
5-amino-N-(4-bromo-2-chlorophenyl)-2-chlorobenzamide
CID 43347151
4-amino-2-(propan-2-ylamino)-N-(2,3,3-trimethylbutyl)-1,3-thiazole-5-carboxamide
CID 116672284

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-bromo-2-chlorophenyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(4-bromo-2-chlorophenyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide (CID 116669374) is 4-amino-N-(4-bromo-2-chlorophenyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(4-bromo-2-chlorophenyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(4-bromo-2-chlorophenyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide is CC(C)Nc1nc(N)c(C(=O)Nc2ccc(Br)cc2Cl)s1.
What is the InChIKey of 4-amino-N-(4-bromo-2-chlorophenyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is FCNSXOFZUJWQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClN4OS/c1-6(2)17-13-19-11(16)10(21-13)12(20)18-9-4-3-7(14)5-8(9)15/h3-6H,16H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 4-amino-N-(4-bromo-2-chlorophenyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-(4-bromo-2-chlorophenyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 389.71 g/mol, XLogP of 4.21, 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-bromo-2-chlorophenyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116669374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).