4-(4-bromophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-2-amine

C15H13BrN4S — CID 1211245

IUPAC4-(4-bromophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-2-amine
SMILESCc1cc(C)nc(Nc2nc(-c3ccc(Br)cc3)cs2)n1
InChIInChI=1S/C15H13BrN4S/c1-9-7-10(2)18-14(17-9)20-15-19-13(8-21-15)11-3-5-12(16)6-4-11/h3-8H,1-2H3,(H,17,18,19,20)
InChIKeyZQDIQQXTSQUGAC-UHFFFAOYSA-N
MW361.27 g/mol
LogP4.72
Rot. Bonds3

About 4-(4-bromophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-2-amine

4-(4-bromophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-2-amine (PubChem CID 1211245) has the molecular formula C15H13BrN4S and a molecular weight of 361.27 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-2-amine
PubChem CID1211245
Molecular FormulaC15H13BrN4S
Molecular Weight361.27 g/mol
Exact Mass360.00
IUPAC Name4-(4-bromophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-2-amine
SMILESCc1cc(C)nc(Nc2nc(-c3ccc(Br)cc3)cs2)n1
InChIInChI=1S/C15H13BrN4S/c1-9-7-10(2)18-14(17-9)20-15-19-13(8-21-15)11-3-5-12(16)6-4-11/h3-8H,1-2H3,(H,17,18,19,20)
InChIKeyZQDIQQXTSQUGAC-UHFFFAOYSA-N
XLogP4.72
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.27
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,6-dimethylpyrimidin-2-yl)-4-naphthalen-2-yl-1,3-thiazol-2-amine
CID 108774081
4-(4-bromophenyl)-N-(2,4,6-trichlorophenyl)-1,3-thiazol-2-amine
CID 151197403
N-(4-bromophenyl)-4-(4-chlorophenyl)-1,3-thiazol-2-amine
CID 3551547
[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazine;hydrochloride
CID 90481496
4-(4-bromophenyl)-N-[5-(ethoxymethyl)-2-methylphenyl]-1,3-thiazol-2-amine;ethane
CID 145132854
N-[3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84564814
4-(4-bromophenyl)-N-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-amine
CID 142697325
1-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-N,4-N-diethylbenzene-1,4-diamine;hydrobromide
CID 2877699
4-bromo-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 1359200
[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]hydrazine
CID 82192450
2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 90506101
4-(4-iodophenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine
CID 560642

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-bromophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-2-amine (CID 1211245) is 4-(4-bromophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-bromophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-bromophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-2-amine is Cc1cc(C)nc(Nc2nc(-c3ccc(Br)cc3)cs2)n1.
What is the InChIKey of 4-(4-bromophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-2-amine?
The InChIKey is ZQDIQQXTSQUGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4S/c1-9-7-10(2)18-14(17-9)20-15-19-13(8-21-15)11-3-5-12(16)6-4-11/h3-8H,1-2H3,(H,17,18,19,20).
What are the key properties of 4-(4-bromophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-2-amine?
4-(4-bromophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-2-amine has a molecular weight of 361.27 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 1211245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).