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

C4H6ClNS — CID 90958650

IUPAC2-chloro-4-methyl-2,3-dihydro-1,3-thiazole
SMILESCC1=CSC(Cl)N1
InChIInChI=1S/C4H6ClNS/c1-3-2-7-4(5)6-3/h2,4,6H,1H3
InChIKeyILJIKEBMSXBWTK-UHFFFAOYSA-N
MW135.62 g/mol
LogP1.71
Rot. Bonds

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

2-chloro-4-methyl-2,3-dihydro-1,3-thiazole (PubChem CID 90958650) has the molecular formula C4H6ClNS and a molecular weight of 135.62 g/mol. Its IUPAC name is 2-chloro-4-methyl-2,3-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-4-methyl-2,3-dihydro-1,3-thiazole
PubChem CID90958650
Molecular FormulaC4H6ClNS
Molecular Weight135.62 g/mol
Exact Mass134.99
IUPAC Name2-chloro-4-methyl-2,3-dihydro-1,3-thiazole
SMILESCC1=CSC(Cl)N1
InChIInChI=1S/C4H6ClNS/c1-3-2-7-4(5)6-3/h2,4,6H,1H3
InChIKeyILJIKEBMSXBWTK-UHFFFAOYSA-N
XLogP1.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.62
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-2,3-dihydro-1,3-thiazole?
The IUPAC name of 2-chloro-4-methyl-2,3-dihydro-1,3-thiazole (CID 90958650) is 2-chloro-4-methyl-2,3-dihydro-1,3-thiazole.
What is the SMILES notation for 2-chloro-4-methyl-2,3-dihydro-1,3-thiazole?
The canonical SMILES for 2-chloro-4-methyl-2,3-dihydro-1,3-thiazole is CC1=CSC(Cl)N1.
What is the InChIKey of 2-chloro-4-methyl-2,3-dihydro-1,3-thiazole?
The InChIKey is ILJIKEBMSXBWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6ClNS/c1-3-2-7-4(5)6-3/h2,4,6H,1H3.
What are the key properties of 2-chloro-4-methyl-2,3-dihydro-1,3-thiazole?
2-chloro-4-methyl-2,3-dihydro-1,3-thiazole has a molecular weight of 135.62 g/mol, XLogP of 1.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-2,3-dihydro-1,3-thiazole is sourced from PubChem (CID 90958650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).