2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-3,5-difluorobenzenethiol

C10H7ClF2N2S2 — CID 168583445

IUPAC2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-3,5-difluorobenzenethiol
SMILESFc1cc(F)c(NCc2cnc(Cl)s2)c(S)c1
InChIInChI=1S/C10H7ClF2N2S2/c11-10-15-4-6(17-10)3-14-9-7(13)1-5(12)2-8(9)16/h1-2,4,14,16H,3H2
InChIKeyPUGKDOMFLLOVNS-UHFFFAOYSA-N
MW292.76 g/mol
LogP3.98
Rot. Bonds3

About 2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-3,5-difluorobenzenethiol

2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-3,5-difluorobenzenethiol (PubChem CID 168583445) has the molecular formula C10H7ClF2N2S2 and a molecular weight of 292.76 g/mol. Its IUPAC name is 2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-3,5-difluorobenzenethiol.

Molecular Properties

Compound Name2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-3,5-difluorobenzenethiol
PubChem CID168583445
Molecular FormulaC10H7ClF2N2S2
Molecular Weight292.76 g/mol
Exact Mass291.97
IUPAC Name2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-3,5-difluorobenzenethiol
SMILESFc1cc(F)c(NCc2cnc(Cl)s2)c(S)c1
InChIInChI=1S/C10H7ClF2N2S2/c11-10-15-4-6(17-10)3-14-9-7(13)1-5(12)2-8(9)16/h1-2,4,14,16H,3H2
InChIKeyPUGKDOMFLLOVNS-UHFFFAOYSA-N
XLogP3.98
TPSA24.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.76
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-3,5-difluorobenzenethiol 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-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-fluoro-6-(trifluoromethyl)aniline
CID 168582613
2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,6-difluoroaniline
CID 168583939
5-bromo-2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-3-fluorophenol
CID 168584289
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-fluoro-5-(trifluoromethyl)aniline
CID 168582780
5-[(2-chloro-4,6-difluoroanilino)methyl]-N,N-diethyl-1,3-thiazol-2-amine
CID 83072746
3-bromo-2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoroaniline
CID 168581043
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoro-2-iodo-3-(trifluoromethyl)aniline
CID 168582660
2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-fluoroaniline
CID 168579575
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-fluoroquinolin-6-amine
CID 168581212
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-fluoro-4-phenylaniline
CID 168582121
4-bromo-3-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoroaniline
CID 168580141
2,6-dichloro-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-4-fluoroaniline
CID 83078204

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-3,5-difluorobenzenethiol?
The IUPAC name of 2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-3,5-difluorobenzenethiol (CID 168583445) is 2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-3,5-difluorobenzenethiol.
What is the SMILES notation for 2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-3,5-difluorobenzenethiol?
The canonical SMILES for 2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-3,5-difluorobenzenethiol is Fc1cc(F)c(NCc2cnc(Cl)s2)c(S)c1.
What is the InChIKey of 2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-3,5-difluorobenzenethiol?
The InChIKey is PUGKDOMFLLOVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF2N2S2/c11-10-15-4-6(17-10)3-14-9-7(13)1-5(12)2-8(9)16/h1-2,4,14,16H,3H2.
What are the key properties of 2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-3,5-difluorobenzenethiol?
2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-3,5-difluorobenzenethiol has a molecular weight of 292.76 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-3,5-difluorobenzenethiol is sourced from PubChem (CID 168583445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).