N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-[(3-methylphenyl)methylsulfanyl]aniline

C18H17ClN2S2 — CID 168579749

IUPACN-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-[(3-methylphenyl)methylsulfanyl]aniline
SMILESCc1cccc(CSc2ccccc2NCc2cnc(Cl)s2)c1
InChIInChI=1S/C18H17ClN2S2/c1-13-5-4-6-14(9-13)12-22-17-8-3-2-7-16(17)20-10-15-11-21-18(19)23-15/h2-9,11,20H,10,12H2,1H3
InChIKeyQHTMOJLWRSVFNO-UHFFFAOYSA-N
MW360.94 g/mol
LogP6.01
Rot. Bonds6

About N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-[(3-methylphenyl)methylsulfanyl]aniline

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-[(3-methylphenyl)methylsulfanyl]aniline (PubChem CID 168579749) has the molecular formula C18H17ClN2S2 and a molecular weight of 360.94 g/mol. Its IUPAC name is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-[(3-methylphenyl)methylsulfanyl]aniline.

Molecular Properties

Compound NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-[(3-methylphenyl)methylsulfanyl]aniline
PubChem CID168579749
Molecular FormulaC18H17ClN2S2
Molecular Weight360.94 g/mol
Exact Mass360.05
IUPAC NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-[(3-methylphenyl)methylsulfanyl]aniline
SMILESCc1cccc(CSc2ccccc2NCc2cnc(Cl)s2)c1
InChIInChI=1S/C18H17ClN2S2/c1-13-5-4-6-14(9-13)12-22-17-8-3-2-7-16(17)20-10-15-11-21-18(19)23-15/h2-9,11,20H,10,12H2,1H3
InChIKeyQHTMOJLWRSVFNO-UHFFFAOYSA-N
XLogP6.01
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.94
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-[(3-methylphenyl)methylsulfanyl]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

2-chloro-5-[(3-methylphenyl)methylsulfanylmethyl]-1,3-thiazole
CID 79770670
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(3-methylphenoxy)aniline
CID 168583963
2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-methylphenol
CID 168580519
3-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-propan-2-ylsulfanylaniline
CID 168584225
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(2,2-difluoroethoxy)-4-methylaniline
CID 168582079
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-fluoro-2-methylaniline
CID 168579588
2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-methylbenzonitrile
CID 168584120
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methylisoquinolin-5-amine
CID 168582921
N-[(2-chloro-1,3-thiazol-5-yl)methyl]acridin-4-amine
CID 168580256
2-(difluoromethylsulfanyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 54868732
2-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]sulfanylpyridine-3-carbonitrile
CID 168582330
2-bromo-6-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzenethiol
CID 168583358

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-[(3-methylphenyl)methylsulfanyl]aniline?
The IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-[(3-methylphenyl)methylsulfanyl]aniline (CID 168579749) is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-[(3-methylphenyl)methylsulfanyl]aniline.
What is the SMILES notation for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-[(3-methylphenyl)methylsulfanyl]aniline?
The canonical SMILES for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-[(3-methylphenyl)methylsulfanyl]aniline is Cc1cccc(CSc2ccccc2NCc2cnc(Cl)s2)c1.
What is the InChIKey of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-[(3-methylphenyl)methylsulfanyl]aniline?
The InChIKey is QHTMOJLWRSVFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2S2/c1-13-5-4-6-14(9-13)12-22-17-8-3-2-7-16(17)20-10-15-11-21-18(19)23-15/h2-9,11,20H,10,12H2,1H3.
What are the key properties of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-[(3-methylphenyl)methylsulfanyl]aniline?
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-[(3-methylphenyl)methylsulfanyl]aniline has a molecular weight of 360.94 g/mol, XLogP of 6.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-[(3-methylphenyl)methylsulfanyl]aniline is sourced from PubChem (CID 168579749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).