N-(4-chloro-3-phenylmethoxyphenyl)-1,3-thiazol-2-amine

C16H13ClN2OS — CID 15956108

IUPACN-(4-chloro-3-phenylmethoxyphenyl)-1,3-thiazol-2-amine
SMILESClc1ccc(Nc2nccs2)cc1OCc1ccccc1
InChIInChI=1S/C16H13ClN2OS/c17-14-7-6-13(19-16-18-8-9-21-16)10-15(14)20-11-12-4-2-1-3-5-12/h1-10H,11H2,(H,18,19)
InChIKeyIFOPEOWICZLRQG-UHFFFAOYSA-N
MW316.81 g/mol
LogP5.12
Rot. Bonds5

About N-(4-chloro-3-phenylmethoxyphenyl)-1,3-thiazol-2-amine

N-(4-chloro-3-phenylmethoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 15956108) has the molecular formula C16H13ClN2OS and a molecular weight of 316.81 g/mol. Its IUPAC name is N-(4-chloro-3-phenylmethoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-chloro-3-phenylmethoxyphenyl)-1,3-thiazol-2-amine
PubChem CID15956108
Molecular FormulaC16H13ClN2OS
Molecular Weight316.81 g/mol
Exact Mass316.04
IUPAC NameN-(4-chloro-3-phenylmethoxyphenyl)-1,3-thiazol-2-amine
SMILESClc1ccc(Nc2nccs2)cc1OCc1ccccc1
InChIInChI=1S/C16H13ClN2OS/c17-14-7-6-13(19-16-18-8-9-21-16)10-15(14)20-11-12-4-2-1-3-5-12/h1-10H,11H2,(H,18,19)
InChIKeyIFOPEOWICZLRQG-UHFFFAOYSA-N
XLogP5.12
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.81
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-chloro-3-phenylmethoxyphenyl)-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
2-(3-Methylbut-2-enoxy)-4-(thiazol-2-ylamino)benzonitrile
CID 15956096
N-[4-chloro-3-[(Z)-3-methylpent-2-enoxy]phenyl]thiazol-2-amine
CID 15956109
N-[4-methyl-3-(3-methylbut-2-enoxy)phenyl]thiazol-2-amine
CID 15956090
N-[4-ethyl-3-(3-methylbut-2-enoxy)phenyl]thiazol-2-amine
CID 15956093
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-(3-methylbut-2-enoxy)phenyl]thiazol-2-amine
CID 15956089
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
2-(Cyclopenten-1-ylmethoxy)-4-(thiazol-2-ylamino)benzonitrile
CID 15956111
N-[3-(3-methylbut-2-enoxy)-4-propyl-phenyl]thiazol-2-amine
CID 15956094

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-phenylmethoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(4-chloro-3-phenylmethoxyphenyl)-1,3-thiazol-2-amine (CID 15956108) is N-(4-chloro-3-phenylmethoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-chloro-3-phenylmethoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-chloro-3-phenylmethoxyphenyl)-1,3-thiazol-2-amine is Clc1ccc(Nc2nccs2)cc1OCc1ccccc1.
What is the InChIKey of N-(4-chloro-3-phenylmethoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is IFOPEOWICZLRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2OS/c17-14-7-6-13(19-16-18-8-9-21-16)10-15(14)20-11-12-4-2-1-3-5-12/h1-10H,11H2,(H,18,19).
What are the key properties of N-(4-chloro-3-phenylmethoxyphenyl)-1,3-thiazol-2-amine?
N-(4-chloro-3-phenylmethoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 316.81 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-phenylmethoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 15956108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).