3-(4-bromo-1-methylpyrazol-3-yl)-N-[(2-chloro-1,3-thiazol-5-yl)methyl]aniline

C14H12BrClN4S — CID 168580875

IUPAC3-(4-bromo-1-methylpyrazol-3-yl)-N-[(2-chloro-1,3-thiazol-5-yl)methyl]aniline
SMILESCn1cc(Br)c(-c2cccc(NCc3cnc(Cl)s3)c2)n1
InChIInChI=1S/C14H12BrClN4S/c1-20-8-12(15)13(19-20)9-3-2-4-10(5-9)17-6-11-7-18-14(16)21-11/h2-5,7-8,17H,6H2,1H3
InChIKeyWSMIZBCVURLNDA-UHFFFAOYSA-N
MW383.70 g/mol
LogP4.57
Rot. Bonds4

About 3-(4-bromo-1-methylpyrazol-3-yl)-N-[(2-chloro-1,3-thiazol-5-yl)methyl]aniline

3-(4-bromo-1-methylpyrazol-3-yl)-N-[(2-chloro-1,3-thiazol-5-yl)methyl]aniline (PubChem CID 168580875) has the molecular formula C14H12BrClN4S and a molecular weight of 383.70 g/mol. Its IUPAC name is 3-(4-bromo-1-methylpyrazol-3-yl)-N-[(2-chloro-1,3-thiazol-5-yl)methyl]aniline.

Molecular Properties

Compound Name3-(4-bromo-1-methylpyrazol-3-yl)-N-[(2-chloro-1,3-thiazol-5-yl)methyl]aniline
PubChem CID168580875
Molecular FormulaC14H12BrClN4S
Molecular Weight383.70 g/mol
Exact Mass381.97
IUPAC Name3-(4-bromo-1-methylpyrazol-3-yl)-N-[(2-chloro-1,3-thiazol-5-yl)methyl]aniline
SMILESCn1cc(Br)c(-c2cccc(NCc3cnc(Cl)s3)c2)n1
InChIInChI=1S/C14H12BrClN4S/c1-20-8-12(15)13(19-20)9-3-2-4-10(5-9)17-6-11-7-18-14(16)21-11/h2-5,7-8,17H,6H2,1H3
InChIKeyWSMIZBCVURLNDA-UHFFFAOYSA-N
XLogP4.57
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.70
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(4-bromo-1-methylpyrazol-3-yl)-N-[(2-chloro-1,3-thiazol-5-yl)methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)aniline
CID 168581794
[5-[3-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]furan-2-yl]methanol
CID 168582662
2-[[3-(4-bromo-1-methylpyrazol-3-yl)anilino]methylidene]propanedinitrile
CID 168545117
3,5-dibromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]aniline
CID 168584230
3-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzoic acid
CID 168580143
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(4-methylpiperazin-1-yl)sulfonylaniline
CID 168582949
4-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylaniline
CID 168582394
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(difluoromethylsulfanyl)aniline
CID 168581415
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(trifluoromethoxy)aniline
CID 168579556
2-[3-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-N-(2-methylphenyl)pyrimidin-4-amine
CID 168580272
3-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60941535
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-iodo-3-methylaniline
CID 168581142

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-1-methylpyrazol-3-yl)-N-[(2-chloro-1,3-thiazol-5-yl)methyl]aniline?
The IUPAC name of 3-(4-bromo-1-methylpyrazol-3-yl)-N-[(2-chloro-1,3-thiazol-5-yl)methyl]aniline (CID 168580875) is 3-(4-bromo-1-methylpyrazol-3-yl)-N-[(2-chloro-1,3-thiazol-5-yl)methyl]aniline.
What is the SMILES notation for 3-(4-bromo-1-methylpyrazol-3-yl)-N-[(2-chloro-1,3-thiazol-5-yl)methyl]aniline?
The canonical SMILES for 3-(4-bromo-1-methylpyrazol-3-yl)-N-[(2-chloro-1,3-thiazol-5-yl)methyl]aniline is Cn1cc(Br)c(-c2cccc(NCc3cnc(Cl)s3)c2)n1.
What is the InChIKey of 3-(4-bromo-1-methylpyrazol-3-yl)-N-[(2-chloro-1,3-thiazol-5-yl)methyl]aniline?
The InChIKey is WSMIZBCVURLNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN4S/c1-20-8-12(15)13(19-20)9-3-2-4-10(5-9)17-6-11-7-18-14(16)21-11/h2-5,7-8,17H,6H2,1H3.
What are the key properties of 3-(4-bromo-1-methylpyrazol-3-yl)-N-[(2-chloro-1,3-thiazol-5-yl)methyl]aniline?
3-(4-bromo-1-methylpyrazol-3-yl)-N-[(2-chloro-1,3-thiazol-5-yl)methyl]aniline has a molecular weight of 383.70 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-1-methylpyrazol-3-yl)-N-[(2-chloro-1,3-thiazol-5-yl)methyl]aniline is sourced from PubChem (CID 168580875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).