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

C4H6ClNS — CID 70307929

IUPAC2-chloro-5-methyl-4,5-dihydro-1,3-thiazole
SMILESCC1CN=C(Cl)S1
InChIInChI=1S/C4H6ClNS/c1-3-2-6-4(5)7-3/h3H,2H2,1H3
InChIKeyPTOAWAAPKXOFQA-UHFFFAOYSA-N
MW135.62 g/mol
LogP1.72
Rot. Bonds

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

2-chloro-5-methyl-4,5-dihydro-1,3-thiazole (PubChem CID 70307929) has the molecular formula C4H6ClNS and a molecular weight of 135.62 g/mol. Its IUPAC name is 2-chloro-5-methyl-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-methyl-4,5-dihydro-1,3-thiazole
PubChem CID70307929
Molecular FormulaC4H6ClNS
Molecular Weight135.62 g/mol
Exact Mass134.99
IUPAC Name2-chloro-5-methyl-4,5-dihydro-1,3-thiazole
SMILESCC1CN=C(Cl)S1
InChIInChI=1S/C4H6ClNS/c1-3-2-6-4(5)7-3/h3H,2H2,1H3
InChIKeyPTOAWAAPKXOFQA-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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Related Compounds

5-Methyl-4,5-dihydro-1,3-thiazole
CID 13901673
2-Chloro-2-thiazoline
CID 18316370
2-chloro-5,6-dihydro-4H-1,3-thiazine
CID 12592923
2-Chloro-4-methyl-4,5-dihydro-1,3-thiazole
CID 22247670
(5S)-5-methyl-4,5-dihydro-1,3-thiazole
CID 68213085
2-Bromo-5-methyl-4,5-dihydro-1,3-thiazole
CID 89399113
2-Chloro-5-methyl-4,5-dihydro-1,3-thiazole-4-thiol
CID 89687179
2-Chloro-5-methylsulfanyl-4,5-dihydro-1,3-thiazole
CID 89687180
2-Chloro-4-ethyl-4,5-dihydro-1,3-thiazole
CID 91863051
(5S)-2-chloro-5-methyl-4,5-dihydro-1,3-thiazole
CID 118043135
(5R)-5-methyl-4,5-dihydro-1,3-thiazole
CID 130420771
2-Iodo-5-methyl-4,5-dihydro-1,3-thiazole
CID 134386881

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-chloro-5-methyl-4,5-dihydro-1,3-thiazole (CID 70307929) is 2-chloro-5-methyl-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-methyl-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-chloro-5-methyl-4,5-dihydro-1,3-thiazole is CC1CN=C(Cl)S1.
What is the InChIKey of 2-chloro-5-methyl-4,5-dihydro-1,3-thiazole?
The InChIKey is PTOAWAAPKXOFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6ClNS/c1-3-2-6-4(5)7-3/h3H,2H2,1H3.
What are the key properties of 2-chloro-5-methyl-4,5-dihydro-1,3-thiazole?
2-chloro-5-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-5-methyl-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 70307929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).