N-(3-bromo-4-methoxyphenyl)-4-chloro-1,3-thiazol-2-amine

C10H8BrClN2OS — CID 83156364

IUPACN-(3-bromo-4-methoxyphenyl)-4-chloro-1,3-thiazol-2-amine
SMILESCOc1ccc(Nc2nc(Cl)cs2)cc1Br
InChIInChI=1S/C10H8BrClN2OS/c1-15-8-3-2-6(4-7(8)11)13-10-14-9(12)5-16-10/h2-5H,1H3,(H,13,14)
InChIKeyCYTMTLWXQOUIQH-UHFFFAOYSA-N
MW319.61 g/mol
LogP4.31
Rot. Bonds3

About N-(3-bromo-4-methoxyphenyl)-4-chloro-1,3-thiazol-2-amine

N-(3-bromo-4-methoxyphenyl)-4-chloro-1,3-thiazol-2-amine (PubChem CID 83156364) has the molecular formula C10H8BrClN2OS and a molecular weight of 319.61 g/mol. Its IUPAC name is N-(3-bromo-4-methoxyphenyl)-4-chloro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-bromo-4-methoxyphenyl)-4-chloro-1,3-thiazol-2-amine
PubChem CID83156364
Molecular FormulaC10H8BrClN2OS
Molecular Weight319.61 g/mol
Exact Mass317.92
IUPAC NameN-(3-bromo-4-methoxyphenyl)-4-chloro-1,3-thiazol-2-amine
SMILESCOc1ccc(Nc2nc(Cl)cs2)cc1Br
InChIInChI=1S/C10H8BrClN2OS/c1-15-8-3-2-6(4-7(8)11)13-10-14-9(12)5-16-10/h2-5H,1H3,(H,13,14)
InChIKeyCYTMTLWXQOUIQH-UHFFFAOYSA-N
XLogP4.31
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.61
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 79400359
4-bromo-N-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-amine
CID 79400376
4-(4-bromophenyl)-N-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-amine
CID 142697325
4-chloro-N-(3-chloro-4-methylphenyl)-1,3-thiazol-2-amine
CID 83152094
4-N-(3-bromo-4-methoxyphenyl)-6-chloropyrimidine-2,4-diamine
CID 78955869
4-chloro-N-(3-fluoro-4-methylphenyl)-1,3-thiazol-2-amine
CID 83152809
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16955474
4-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-thiazol-2-amine
CID 83152214
2-(3,4-dimethoxyanilino)-N-(3-methylphenyl)-1,3-thiazole-4-carboxamide
CID 16955410
N-(5-chloro-2-methoxyphenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16955450
ethyl 2-(4-bromo-3-methoxyanilino)-1,3-thiazole-4-carboxylate
CID 82861980
N-(2-bromo-5-methylphenyl)-4-chloro-1,3-thiazol-2-amine
CID 83155520

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methoxyphenyl)-4-chloro-1,3-thiazol-2-amine?
The IUPAC name of N-(3-bromo-4-methoxyphenyl)-4-chloro-1,3-thiazol-2-amine (CID 83156364) is N-(3-bromo-4-methoxyphenyl)-4-chloro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-bromo-4-methoxyphenyl)-4-chloro-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-bromo-4-methoxyphenyl)-4-chloro-1,3-thiazol-2-amine is COc1ccc(Nc2nc(Cl)cs2)cc1Br.
What is the InChIKey of N-(3-bromo-4-methoxyphenyl)-4-chloro-1,3-thiazol-2-amine?
The InChIKey is CYTMTLWXQOUIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN2OS/c1-15-8-3-2-6(4-7(8)11)13-10-14-9(12)5-16-10/h2-5H,1H3,(H,13,14).
What are the key properties of N-(3-bromo-4-methoxyphenyl)-4-chloro-1,3-thiazol-2-amine?
N-(3-bromo-4-methoxyphenyl)-4-chloro-1,3-thiazol-2-amine has a molecular weight of 319.61 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methoxyphenyl)-4-chloro-1,3-thiazol-2-amine is sourced from PubChem (CID 83156364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).