4-amino-N-(2-bromophenyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide

C14H17BrN4OS — CID 116668499

IUPAC4-amino-N-(2-bromophenyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
SMILESCC(C)CNc1nc(N)c(C(=O)Nc2ccccc2Br)s1
InChIInChI=1S/C14H17BrN4OS/c1-8(2)7-17-14-19-12(16)11(21-14)13(20)18-10-6-4-3-5-9(10)15/h3-6,8H,7,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyRJIAYNXJJNSLIL-UHFFFAOYSA-N
MW369.29 g/mol
LogP3.81
Rot. Bonds5

About 4-amino-N-(2-bromophenyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide

4-amino-N-(2-bromophenyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116668499) has the molecular formula C14H17BrN4OS and a molecular weight of 369.29 g/mol. Its IUPAC name is 4-amino-N-(2-bromophenyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-bromophenyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
PubChem CID116668499
Molecular FormulaC14H17BrN4OS
Molecular Weight369.29 g/mol
Exact Mass368.03
IUPAC Name4-amino-N-(2-bromophenyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
SMILESCC(C)CNc1nc(N)c(C(=O)Nc2ccccc2Br)s1
InChIInChI=1S/C14H17BrN4OS/c1-8(2)7-17-14-19-12(16)11(21-14)13(20)18-10-6-4-3-5-9(10)15/h3-6,8H,7,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyRJIAYNXJJNSLIL-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(4-chlorophenyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116668462
4-amino-2-(2-methylpropylamino)-N-(1-methylpyrazol-3-yl)-1,3-thiazole-5-carboxamide
CID 116671334
4-amino-2-(2-methylpropylamino)-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116668712
4-amino-N-(2-methylsulfanylphenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 107647427
4-amino-2-(2-methylpropylamino)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 116670035
4-amino-2-(2-methylpropylamino)-N-(3-sulfamoylpropyl)-1,3-thiazole-5-carboxamide
CID 116664857
4-amino-N-cyclopropyl-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116667655
4-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 107855762
4-amino-2-(2-methylpropylamino)-N-[(5-methylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 116665119
4-amino-N-(2-bromo-5-methylphenyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116672031
4-amino-N-(4-hydroxy-2-methylbutan-2-yl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116673706
4-amino-N-cyclopentyl-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116667691

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-bromophenyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2-bromophenyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide (CID 116668499) is 4-amino-N-(2-bromophenyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2-bromophenyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2-bromophenyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide is CC(C)CNc1nc(N)c(C(=O)Nc2ccccc2Br)s1.
What is the InChIKey of 4-amino-N-(2-bromophenyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is RJIAYNXJJNSLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4OS/c1-8(2)7-17-14-19-12(16)11(21-14)13(20)18-10-6-4-3-5-9(10)15/h3-6,8H,7,16H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 4-amino-N-(2-bromophenyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-(2-bromophenyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 369.29 g/mol, XLogP of 3.81, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-bromophenyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116668499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).