2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]-1,3-oxazole

C7H5ClN2OS2 — CID 106921258

IUPAC2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]-1,3-oxazole
SMILESClc1ncc(CSc2ncco2)s1
InChIInChI=1S/C7H5ClN2OS2/c8-6-10-3-5(13-6)4-12-7-9-1-2-11-7/h1-3H,4H2
InChIKeyAKCWSYMJCXDGBQ-UHFFFAOYSA-N
MW232.72 g/mol
LogP3.08
Rot. Bonds3

About 2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]-1,3-oxazole

2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]-1,3-oxazole (PubChem CID 106921258) has the molecular formula C7H5ClN2OS2 and a molecular weight of 232.72 g/mol. Its IUPAC name is 2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]-1,3-oxazole
PubChem CID106921258
Molecular FormulaC7H5ClN2OS2
Molecular Weight232.72 g/mol
Exact Mass231.95
IUPAC Name2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]-1,3-oxazole
SMILESClc1ncc(CSc2ncco2)s1
InChIInChI=1S/C7H5ClN2OS2/c8-6-10-3-5(13-6)4-12-7-9-1-2-11-7/h1-3H,4H2
InChIKeyAKCWSYMJCXDGBQ-UHFFFAOYSA-N
XLogP3.08
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.72
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]-1,3-oxazole 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-[(5-bromo-1,3-thiazol-2-yl)methylsulfanyl]-1,3-oxazole
CID 131207073
4-chloro-2-(1,3-oxazol-2-ylsulfanylmethyl)aniline
CID 106921858
1-(2,5-dichlorothiophen-3-yl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone
CID 106923930
2-(3-chloropropylsulfanyl)-1,3-oxazole
CID 106920963
[5-(1,3-oxazol-2-ylsulfanylmethyl)furan-2-yl]methanamine
CID 106927256
2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]pyridine-4-carboxylic acid
CID 79772568
3-[5-(1,3-oxazol-2-ylsulfanylmethyl)thiophen-2-yl]prop-2-yn-1-amine
CID 106924402
2-chloro-5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-thiazole
CID 79764244
[4-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]methanol
CID 106923568
3-chloro-2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]aniline
CID 79763873
2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]ethanol
CID 79765524
3-[5-(1,3-oxazol-2-ylsulfanylmethyl)thiophen-3-yl]prop-2-yn-1-amine
CID 106924395

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]-1,3-oxazole?
The IUPAC name of 2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]-1,3-oxazole (CID 106921258) is 2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]-1,3-oxazole.
What is the SMILES notation for 2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]-1,3-oxazole?
The canonical SMILES for 2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]-1,3-oxazole is Clc1ncc(CSc2ncco2)s1.
What is the InChIKey of 2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]-1,3-oxazole?
The InChIKey is AKCWSYMJCXDGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2OS2/c8-6-10-3-5(13-6)4-12-7-9-1-2-11-7/h1-3H,4H2.
What are the key properties of 2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]-1,3-oxazole?
2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]-1,3-oxazole has a molecular weight of 232.72 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]-1,3-oxazole is sourced from PubChem (CID 106921258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).