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

C3H4ClNS — CID 18316370

IUPAC2-chloro-4,5-dihydro-1,3-thiazole
SMILESClC1=NCCS1
InChIInChI=1S/C3H4ClNS/c4-3-5-1-2-6-3/h1-2H2
InChIKeyOOTAHSZNPMYUCF-UHFFFAOYSA-N
MW121.59 g/mol
LogP1.33
Rot. Bonds

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

2-chloro-4,5-dihydro-1,3-thiazole (PubChem CID 18316370) has the molecular formula C3H4ClNS and a molecular weight of 121.59 g/mol. Its IUPAC name is 2-chloro-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-4,5-dihydro-1,3-thiazole
PubChem CID18316370
Molecular FormulaC3H4ClNS
Molecular Weight121.59 g/mol
Exact Mass120.98
IUPAC Name2-chloro-4,5-dihydro-1,3-thiazole
SMILESClC1=NCCS1
InChIInChI=1S/C3H4ClNS/c4-3-5-1-2-6-3/h1-2H2
InChIKeyOOTAHSZNPMYUCF-UHFFFAOYSA-N
XLogP1.33
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.59
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-chloro-4,5-dihydro-1,3-thiazole (CID 18316370) is 2-chloro-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-chloro-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-chloro-4,5-dihydro-1,3-thiazole is ClC1=NCCS1.
What is the InChIKey of 2-chloro-4,5-dihydro-1,3-thiazole?
The InChIKey is OOTAHSZNPMYUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4ClNS/c4-3-5-1-2-6-3/h1-2H2.
What are the key properties of 2-chloro-4,5-dihydro-1,3-thiazole?
2-chloro-4,5-dihydro-1,3-thiazole has a molecular weight of 121.59 g/mol, XLogP of 1.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 18316370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).