5-chloro-2-methyl-1,3-thiazole

C4H4ClNS — CID 13228662

IUPAC5-chloro-2-methyl-1,3-thiazole
SMILESCc1ncc(Cl)s1
InChIInChI=1S/C4H4ClNS/c1-3-6-2-4(5)7-3/h2H,1H3
InChIKeyOBJJLARZUXETGQ-UHFFFAOYSA-N
MW133.60 g/mol
LogP2.10
Rot. Bonds

About 5-chloro-2-methyl-1,3-thiazole

5-chloro-2-methyl-1,3-thiazole (PubChem CID 13228662) has the molecular formula C4H4ClNS and a molecular weight of 133.60 g/mol. Its IUPAC name is 5-chloro-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-chloro-2-methyl-1,3-thiazole
PubChem CID13228662
Molecular FormulaC4H4ClNS
Molecular Weight133.60 g/mol
Exact Mass132.98
IUPAC Name5-chloro-2-methyl-1,3-thiazole
SMILESCc1ncc(Cl)s1
InChIInChI=1S/C4H4ClNS/c1-3-6-2-4(5)7-3/h2H,1H3
InChIKeyOBJJLARZUXETGQ-UHFFFAOYSA-N
XLogP2.10
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.60
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-1,3-thiazole?
The IUPAC name of 5-chloro-2-methyl-1,3-thiazole (CID 13228662) is 5-chloro-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-chloro-2-methyl-1,3-thiazole?
The canonical SMILES for 5-chloro-2-methyl-1,3-thiazole is Cc1ncc(Cl)s1.
What is the InChIKey of 5-chloro-2-methyl-1,3-thiazole?
The InChIKey is OBJJLARZUXETGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4ClNS/c1-3-6-2-4(5)7-3/h2H,1H3.
What are the key properties of 5-chloro-2-methyl-1,3-thiazole?
5-chloro-2-methyl-1,3-thiazole has a molecular weight of 133.60 g/mol, XLogP of 2.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-1,3-thiazole is sourced from PubChem (CID 13228662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).