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

C14H17BrN4OS — CID 116672031

IUPAC4-amino-N-(2-bromo-5-methylphenyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(Br)c(NC(=O)c2sc(NC(C)C)nc2N)c1
InChIInChI=1S/C14H17BrN4OS/c1-7(2)17-14-19-12(16)11(21-14)13(20)18-10-6-8(3)4-5-9(10)15/h4-7H,16H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyYUGSHYZBWNEWIJ-UHFFFAOYSA-N
MW369.29 g/mol
LogP3.87
Rot. Bonds4

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

4-amino-N-(2-bromo-5-methylphenyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116672031) has the molecular formula C14H17BrN4OS and a molecular weight of 369.29 g/mol. Its IUPAC name is 4-amino-N-(2-bromo-5-methylphenyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-bromo-5-methylphenyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
PubChem CID116672031
Molecular FormulaC14H17BrN4OS
Molecular Weight369.29 g/mol
Exact Mass368.03
IUPAC Name4-amino-N-(2-bromo-5-methylphenyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(Br)c(NC(=O)c2sc(NC(C)C)nc2N)c1
InChIInChI=1S/C14H17BrN4OS/c1-7(2)17-14-19-12(16)11(21-14)13(20)18-10-6-8(3)4-5-9(10)15/h4-7H,16H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyYUGSHYZBWNEWIJ-UHFFFAOYSA-N
XLogP3.87
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.29
LogP ≤ 53.87
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-(4-bromo-2-chlorophenyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116669374
4-amino-N-(2,5-difluorophenyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116668151
4-amino-N-(2,5-dimethylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116668356
4-amino-N-(2,4-dimethylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116668417
4-amino-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116667734
4-amino-N-(2,6-difluorophenyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116669233
4-amino-N-(2-bromophenyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116668499
4-amino-N-(2,5-dibromophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116663693
4-amino-N-(1-cyclopropylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116669993
4-amino-N-(3-methylpentan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116663625
4-amino-N-(1-phenylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116667931

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-bromo-5-methylphenyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2-bromo-5-methylphenyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide (CID 116672031) is 4-amino-N-(2-bromo-5-methylphenyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2-bromo-5-methylphenyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2-bromo-5-methylphenyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide is Cc1ccc(Br)c(NC(=O)c2sc(NC(C)C)nc2N)c1.
What is the InChIKey of 4-amino-N-(2-bromo-5-methylphenyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is YUGSHYZBWNEWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4OS/c1-7(2)17-14-19-12(16)11(21-14)13(20)18-10-6-8(3)4-5-9(10)15/h4-7H,16H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of 4-amino-N-(2-bromo-5-methylphenyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-(2-bromo-5-methylphenyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 369.29 g/mol, XLogP of 3.87, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-bromo-5-methylphenyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116672031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).