3-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2H-indazol-5-amine

C11H8BrClN4S — CID 168583171

IUPAC3-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2H-indazol-5-amine
SMILESClc1ncc(CNc2ccc3n[nH]c(Br)c3c2)s1
InChIInChI=1S/C11H8BrClN4S/c12-10-8-3-6(1-2-9(8)16-17-10)14-4-7-5-15-11(13)18-7/h1-3,5,14H,4H2,(H,16,17)
InChIKeyOGSYWNDJIXZWKB-UHFFFAOYSA-N
MW343.64 g/mol
LogP4.05
Rot. Bonds3

About 3-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2H-indazol-5-amine

3-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2H-indazol-5-amine (PubChem CID 168583171) has the molecular formula C11H8BrClN4S and a molecular weight of 343.64 g/mol. Its IUPAC name is 3-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2H-indazol-5-amine.

Molecular Properties

Compound Name3-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2H-indazol-5-amine
PubChem CID168583171
Molecular FormulaC11H8BrClN4S
Molecular Weight343.64 g/mol
Exact Mass341.93
IUPAC Name3-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2H-indazol-5-amine
SMILESClc1ncc(CNc2ccc3n[nH]c(Br)c3c2)s1
InChIInChI=1S/C11H8BrClN4S/c12-10-8-3-6(1-2-9(8)16-17-10)14-4-7-5-15-11(13)18-7/h1-3,5,14H,4H2,(H,16,17)
InChIKeyOGSYWNDJIXZWKB-UHFFFAOYSA-N
XLogP4.05
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.64
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2H-indazol-5-amine 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-fluoroquinolin-6-amine
CID 168581212
3,5-dibromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]aniline
CID 168584230
4-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylaniline
CID 168582394
6-[(2-chloro-1,3-thiazol-5-yl)methylamino]chromen-4-one
CID 168583307
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-iodo-3-methylaniline
CID 168581142
3-bromo-N-methyl-2H-indazol-5-amine
CID 142979662
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-6-ethoxynaphthalen-2-amine
CID 168582544
6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4,4-dimethyl-1,3-dihydroquinolin-2-one
CID 168580850
4-(5-bromopyrimidin-2-yl)sulfanyl-N-[(2-chloro-1,3-thiazol-5-yl)methyl]aniline
CID 168583965
3-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzoic acid
CID 168580143
3-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-(2,2-difluoroethoxy)aniline
CID 168581259
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-methylbenzotriazol-5-amine
CID 168584143

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2H-indazol-5-amine?
The IUPAC name of 3-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2H-indazol-5-amine (CID 168583171) is 3-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2H-indazol-5-amine.
What is the SMILES notation for 3-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2H-indazol-5-amine?
The canonical SMILES for 3-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2H-indazol-5-amine is Clc1ncc(CNc2ccc3n[nH]c(Br)c3c2)s1.
What is the InChIKey of 3-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2H-indazol-5-amine?
The InChIKey is OGSYWNDJIXZWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClN4S/c12-10-8-3-6(1-2-9(8)16-17-10)14-4-7-5-15-11(13)18-7/h1-3,5,14H,4H2,(H,16,17).
What are the key properties of 3-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2H-indazol-5-amine?
3-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2H-indazol-5-amine has a molecular weight of 343.64 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2H-indazol-5-amine is sourced from PubChem (CID 168583171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).