N-[4-chloro-3-(1,3-thiazol-2-ylmethoxy)phenyl]-1,3-thiazol-2-amine

C13H10ClN3OS2 — CID 15956106

IUPACN-[4-chloro-3-(1,3-thiazol-2-ylmethoxy)phenyl]-1,3-thiazol-2-amine
SMILESClc1ccc(Nc2nccs2)cc1OCc1nccs1
InChIInChI=1S/C13H10ClN3OS2/c14-10-2-1-9(17-13-16-4-6-20-13)7-11(10)18-8-12-15-3-5-19-12/h1-7H,8H2,(H,16,17)
InChIKeyYLVYXUWNNHOVBA-UHFFFAOYSA-N
MW323.83 g/mol
LogP4.58
Rot. Bonds5

About N-[4-chloro-3-(1,3-thiazol-2-ylmethoxy)phenyl]-1,3-thiazol-2-amine

N-[4-chloro-3-(1,3-thiazol-2-ylmethoxy)phenyl]-1,3-thiazol-2-amine (PubChem CID 15956106) has the molecular formula C13H10ClN3OS2 and a molecular weight of 323.83 g/mol. Its IUPAC name is N-[4-chloro-3-(1,3-thiazol-2-ylmethoxy)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[4-chloro-3-(1,3-thiazol-2-ylmethoxy)phenyl]-1,3-thiazol-2-amine
PubChem CID15956106
Molecular FormulaC13H10ClN3OS2
Molecular Weight323.83 g/mol
Exact Mass323.00
IUPAC NameN-[4-chloro-3-(1,3-thiazol-2-ylmethoxy)phenyl]-1,3-thiazol-2-amine
SMILESClc1ccc(Nc2nccs2)cc1OCc1nccs1
InChIInChI=1S/C13H10ClN3OS2/c14-10-2-1-9(17-13-16-4-6-20-13)7-11(10)18-8-12-15-3-5-19-12/h1-7H,8H2,(H,16,17)
InChIKeyYLVYXUWNNHOVBA-UHFFFAOYSA-N
XLogP4.58
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.83
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-chloro-3-(1,3-thiazol-2-ylmethoxy)phenyl]-1,3-thiazol-2-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-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]thiazol-2-amine
CID 15956092
N-[4-chloro-3-[(Z)-3-methylpent-2-enoxy]phenyl]thiazol-2-amine
CID 15956109
2-Thiazolamine, N-[4-chloro-3-(2-furanylmethoxy)phenyl]-
CID 15956098
N-[4-chloro-3-(3-furylmethoxy)phenyl]thiazol-2-amine
CID 15956100
N-[4-chloro-3-(3-thienylmethoxy)phenyl]thiazol-2-amine
CID 15956104
N-(3-(benzyloxy)-4-chlorophenyl)thiazol-2-amine
CID 15956108
N-[4-chloro-3-(2-thienylmethoxy)phenyl]thiazol-2-amine
CID 15956102
N-[4-chloro-3-(cyclopenten-1-ylmethoxy)phenyl]thiazol-2-amine
CID 15956110
N-(4-chloro-3-((2-methylcyclopent-1-enyl)methoxy)phenyl)thiazol-2-amine
CID 15956112
N-(4-chloro-3-(cyclohexylmethoxy)phenyl)thiazol-2-amine
CID 15956113
N-(3-ethoxyphenyl)thiazol-2-amine
CID 86645028
N-(4-Methyl-3-(thiazol-2-ylmethoxy)phenyl)thiazol-2-amine
CID 86645043

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(1,3-thiazol-2-ylmethoxy)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[4-chloro-3-(1,3-thiazol-2-ylmethoxy)phenyl]-1,3-thiazol-2-amine (CID 15956106) is N-[4-chloro-3-(1,3-thiazol-2-ylmethoxy)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[4-chloro-3-(1,3-thiazol-2-ylmethoxy)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[4-chloro-3-(1,3-thiazol-2-ylmethoxy)phenyl]-1,3-thiazol-2-amine is Clc1ccc(Nc2nccs2)cc1OCc1nccs1.
What is the InChIKey of N-[4-chloro-3-(1,3-thiazol-2-ylmethoxy)phenyl]-1,3-thiazol-2-amine?
The InChIKey is YLVYXUWNNHOVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3OS2/c14-10-2-1-9(17-13-16-4-6-20-13)7-11(10)18-8-12-15-3-5-19-12/h1-7H,8H2,(H,16,17).
What are the key properties of N-[4-chloro-3-(1,3-thiazol-2-ylmethoxy)phenyl]-1,3-thiazol-2-amine?
N-[4-chloro-3-(1,3-thiazol-2-ylmethoxy)phenyl]-1,3-thiazol-2-amine has a molecular weight of 323.83 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(1,3-thiazol-2-ylmethoxy)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 15956106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).