4-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine

C12H10ClN5OS — CID 103442639

IUPAC4-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine
SMILESCNc1snc(C)c1-c1nc(-c2ncccc2Cl)no1
InChIInChI=1S/C12H10ClN5OS/c1-6-8(12(14-2)20-18-6)11-16-10(17-19-11)9-7(13)4-3-5-15-9/h3-5,14H,1-2H3
InChIKeyMXWOQPWYUKCWPM-UHFFFAOYSA-N
MW307.77 g/mol
LogP3.26
Rot. Bonds3

About 4-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine

4-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine (PubChem CID 103442639) has the molecular formula C12H10ClN5OS and a molecular weight of 307.77 g/mol. Its IUPAC name is 4-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine.

Molecular Properties

Compound Name4-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine
PubChem CID103442639
Molecular FormulaC12H10ClN5OS
Molecular Weight307.77 g/mol
Exact Mass307.03
IUPAC Name4-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine
SMILESCNc1snc(C)c1-c1nc(-c2ncccc2Cl)no1
InChIInChI=1S/C12H10ClN5OS/c1-6-8(12(14-2)20-18-6)11-16-10(17-19-11)9-7(13)4-3-5-15-9/h3-5,14H,1-2H3
InChIKeyMXWOQPWYUKCWPM-UHFFFAOYSA-N
XLogP3.26
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.77
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-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,3-dimethyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,2-thiazol-5-amine
CID 79391228
4-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine
CID 79392299
3-[5-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]phenol
CID 107921085
2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline
CID 103442788
4-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine
CID 107280112
4-[3-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine
CID 107923395
4-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 103442626
N-methyl-5-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-1,2,4-oxadiazole-3-carboxamide
CID 102790600
3-chloro-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63722767
N-tert-butyl-3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-amine
CID 103445283
5-chloro-2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136847807
5-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
CID 103442682

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine?
The IUPAC name of 4-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine (CID 103442639) is 4-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine.
What is the SMILES notation for 4-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine?
The canonical SMILES for 4-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine is CNc1snc(C)c1-c1nc(-c2ncccc2Cl)no1.
What is the InChIKey of 4-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine?
The InChIKey is MXWOQPWYUKCWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN5OS/c1-6-8(12(14-2)20-18-6)11-16-10(17-19-11)9-7(13)4-3-5-15-9/h3-5,14H,1-2H3.
What are the key properties of 4-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine?
4-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine has a molecular weight of 307.77 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine is sourced from PubChem (CID 103442639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).