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

C13H10ClN3S — CID 104877930

IUPACN-[(5-chloro-1,3-thiazol-2-yl)methyl]quinolin-3-amine
SMILESClc1cnc(CNc2cnc3ccccc3c2)s1
InChIInChI=1S/C13H10ClN3S/c14-12-7-17-13(18-12)8-15-10-5-9-3-1-2-4-11(9)16-6-10/h1-7,15H,8H2
InChIKeySMEMLOGRSOMOGF-UHFFFAOYSA-N
MW275.76 g/mol
LogP3.96
Rot. Bonds3

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

N-[(5-chloro-1,3-thiazol-2-yl)methyl]quinolin-3-amine (PubChem CID 104877930) has the molecular formula C13H10ClN3S and a molecular weight of 275.76 g/mol. Its IUPAC name is N-[(5-chloro-1,3-thiazol-2-yl)methyl]quinolin-3-amine.

Molecular Properties

Compound NameN-[(5-chloro-1,3-thiazol-2-yl)methyl]quinolin-3-amine
PubChem CID104877930
Molecular FormulaC13H10ClN3S
Molecular Weight275.76 g/mol
Exact Mass275.03
IUPAC NameN-[(5-chloro-1,3-thiazol-2-yl)methyl]quinolin-3-amine
SMILESClc1cnc(CNc2cnc3ccccc3c2)s1
InChIInChI=1S/C13H10ClN3S/c14-12-7-17-13(18-12)8-15-10-5-9-3-1-2-4-11(9)16-6-10/h1-7,15H,8H2
InChIKeySMEMLOGRSOMOGF-UHFFFAOYSA-N
XLogP3.96
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(5-chloro-1,3-thiazol-2-yl)methyl]quinolin-3-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-[(5-chlorothiophen-2-yl)methyl]quinolin-3-amine
CID 43691132
N-[(4-chloro-2-fluorophenyl)methyl]quinolin-3-amine
CID 114841721
6-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]pyridin-3-amine
CID 104877929
N-[(4-bromothiophen-3-yl)methyl]quinolin-3-amine
CID 112739629
N-(1-benzothiophen-3-ylmethyl)quinolin-3-amine
CID 62699615
N-[(4-ethylphenyl)methyl]quinolin-3-amine
CID 43691167
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-3,4-dimethylaniline
CID 104878720
N-[(4-bromothiophen-2-yl)methyl]quinolin-3-amine
CID 43691316
2-[(quinolin-3-ylamino)methyl]benzonitrile
CID 104694112
N-[(2-ethoxyphenyl)methyl]quinolin-3-amine
CID 43691162
N-[(5-chloro-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine
CID 130736430
2-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-4-fluoroaniline
CID 104921573

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1,3-thiazol-2-yl)methyl]quinolin-3-amine?
The IUPAC name of N-[(5-chloro-1,3-thiazol-2-yl)methyl]quinolin-3-amine (CID 104877930) is N-[(5-chloro-1,3-thiazol-2-yl)methyl]quinolin-3-amine.
What is the SMILES notation for N-[(5-chloro-1,3-thiazol-2-yl)methyl]quinolin-3-amine?
The canonical SMILES for N-[(5-chloro-1,3-thiazol-2-yl)methyl]quinolin-3-amine is Clc1cnc(CNc2cnc3ccccc3c2)s1.
What is the InChIKey of N-[(5-chloro-1,3-thiazol-2-yl)methyl]quinolin-3-amine?
The InChIKey is SMEMLOGRSOMOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3S/c14-12-7-17-13(18-12)8-15-10-5-9-3-1-2-4-11(9)16-6-10/h1-7,15H,8H2.
What are the key properties of N-[(5-chloro-1,3-thiazol-2-yl)methyl]quinolin-3-amine?
N-[(5-chloro-1,3-thiazol-2-yl)methyl]quinolin-3-amine has a molecular weight of 275.76 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1,3-thiazol-2-yl)methyl]quinolin-3-amine is sourced from PubChem (CID 104877930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).