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

C14H17BrN4OS — CID 116670549

IUPAC4-amino-N-(5-bromo-2-methylphenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
SMILESCCCNc1nc(N)c(C(=O)Nc2cc(Br)ccc2C)s1
InChIInChI=1S/C14H17BrN4OS/c1-3-6-17-14-19-12(16)11(21-14)13(20)18-10-7-9(15)5-4-8(10)2/h4-5,7H,3,6,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyAGYUQOAVRGZCEK-UHFFFAOYSA-N
MW369.29 g/mol
LogP3.87
Rot. Bonds5

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

4-amino-N-(5-bromo-2-methylphenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116670549) has the molecular formula C14H17BrN4OS and a molecular weight of 369.29 g/mol. Its IUPAC name is 4-amino-N-(5-bromo-2-methylphenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(5-bromo-2-methylphenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
PubChem CID116670549
Molecular FormulaC14H17BrN4OS
Molecular Weight369.29 g/mol
Exact Mass368.03
IUPAC Name4-amino-N-(5-bromo-2-methylphenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
SMILESCCCNc1nc(N)c(C(=O)Nc2cc(Br)ccc2C)s1
InChIInChI=1S/C14H17BrN4OS/c1-3-6-17-14-19-12(16)11(21-14)13(20)18-10-7-9(15)5-4-8(10)2/h4-5,7H,3,6,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyAGYUQOAVRGZCEK-UHFFFAOYSA-N
XLogP3.87
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
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-fluoro-2-methylphenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116668663
4-amino-N-(5-bromo-2-methylphenyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116670547
4-amino-N-(4-methyl-3-pyridinyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116666120
4-amino-N-(2-methylsulfanylphenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 107647427
4-amino-N-(2,5-dimethylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116668356
4-amino-N-(2-bromo-6-fluorophenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 107605084
4-amino-N-[(4-methylthiophen-3-yl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116671544
4-amino-N-(6-methoxy-3-pyridinyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116668346
4-amino-N-[(3-methyl-2-pyridinyl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116666104
4-amino-N-[1-(5-methylthiophen-2-yl)ethyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116663820
4-amino-N-(4-bromo-2-chlorophenyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116669374
4-amino-N-hexyl-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116666768

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-bromo-2-methylphenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(5-bromo-2-methylphenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide (CID 116670549) is 4-amino-N-(5-bromo-2-methylphenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(5-bromo-2-methylphenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(5-bromo-2-methylphenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide is CCCNc1nc(N)c(C(=O)Nc2cc(Br)ccc2C)s1.
What is the InChIKey of 4-amino-N-(5-bromo-2-methylphenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is AGYUQOAVRGZCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4OS/c1-3-6-17-14-19-12(16)11(21-14)13(20)18-10-7-9(15)5-4-8(10)2/h4-5,7H,3,6,16H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 4-amino-N-(5-bromo-2-methylphenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-(5-bromo-2-methylphenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 369.29 g/mol, XLogP of 3.87, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-bromo-2-methylphenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116670549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).