2-chloro-4-methyl-4,5-dihydro-1,3-thiazole

C4H6ClNS — CID 22247670

IUPAC2-chloro-4-methyl-4,5-dihydro-1,3-thiazole
SMILESCC1CSC(Cl)=N1
InChIInChI=1S/C4H6ClNS/c1-3-2-7-4(5)6-3/h3H,2H2,1H3
InChIKeyGBZOJWNWAOPOFE-UHFFFAOYSA-N
MW135.62 g/mol
LogP1.72
Rot. Bonds

About 2-chloro-4-methyl-4,5-dihydro-1,3-thiazole

2-chloro-4-methyl-4,5-dihydro-1,3-thiazole (PubChem CID 22247670) has the molecular formula C4H6ClNS and a molecular weight of 135.62 g/mol. Its IUPAC name is 2-chloro-4-methyl-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-4-methyl-4,5-dihydro-1,3-thiazole
PubChem CID22247670
Molecular FormulaC4H6ClNS
Molecular Weight135.62 g/mol
Exact Mass134.99
IUPAC Name2-chloro-4-methyl-4,5-dihydro-1,3-thiazole
SMILESCC1CSC(Cl)=N1
InChIInChI=1S/C4H6ClNS/c1-3-2-7-4(5)6-3/h3H,2H2,1H3
InChIKeyGBZOJWNWAOPOFE-UHFFFAOYSA-N
XLogP1.72
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.62
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-chloro-4-methyl-4,5-dihydro-1,3-thiazole (CID 22247670) is 2-chloro-4-methyl-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-chloro-4-methyl-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-chloro-4-methyl-4,5-dihydro-1,3-thiazole is CC1CSC(Cl)=N1.
What is the InChIKey of 2-chloro-4-methyl-4,5-dihydro-1,3-thiazole?
The InChIKey is GBZOJWNWAOPOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6ClNS/c1-3-2-7-4(5)6-3/h3H,2H2,1H3.
What are the key properties of 2-chloro-4-methyl-4,5-dihydro-1,3-thiazole?
2-chloro-4-methyl-4,5-dihydro-1,3-thiazole has a molecular weight of 135.62 g/mol, XLogP of 1.72, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 22247670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).