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

C9H10ClNS — CID 140505237

IUPAC1-chloro-1-phenyl-4,5-dihydro-1,2-thiazole
SMILESClS1(c2ccccc2)CCC=N1
InChIInChI=1S/C9H10ClNS/c10-12(8-4-7-11-12)9-5-2-1-3-6-9/h1-3,5-7H,4,8H2
InChIKeyMCQNFPZNXASDFL-UHFFFAOYSA-N
MW199.71 g/mol
LogP3.39
Rot. Bonds1

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

1-chloro-1-phenyl-4,5-dihydro-1,2-thiazole (PubChem CID 140505237) has the molecular formula C9H10ClNS and a molecular weight of 199.71 g/mol. Its IUPAC name is 1-chloro-1-phenyl-4,5-dihydro-1,2-thiazole.

Molecular Properties

Compound Name1-chloro-1-phenyl-4,5-dihydro-1,2-thiazole
PubChem CID140505237
Molecular FormulaC9H10ClNS
Molecular Weight199.71 g/mol
Exact Mass199.02
IUPAC Name1-chloro-1-phenyl-4,5-dihydro-1,2-thiazole
SMILESClS1(c2ccccc2)CCC=N1
InChIInChI=1S/C9H10ClNS/c10-12(8-4-7-11-12)9-5-2-1-3-6-9/h1-3,5-7H,4,8H2
InChIKeyMCQNFPZNXASDFL-UHFFFAOYSA-N
XLogP3.39
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.71
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-phenyl-4,5-dihydro-1,2-thiazole?
The IUPAC name of 1-chloro-1-phenyl-4,5-dihydro-1,2-thiazole (CID 140505237) is 1-chloro-1-phenyl-4,5-dihydro-1,2-thiazole.
What is the SMILES notation for 1-chloro-1-phenyl-4,5-dihydro-1,2-thiazole?
The canonical SMILES for 1-chloro-1-phenyl-4,5-dihydro-1,2-thiazole is ClS1(c2ccccc2)CCC=N1.
What is the InChIKey of 1-chloro-1-phenyl-4,5-dihydro-1,2-thiazole?
The InChIKey is MCQNFPZNXASDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNS/c10-12(8-4-7-11-12)9-5-2-1-3-6-9/h1-3,5-7H,4,8H2.
What are the key properties of 1-chloro-1-phenyl-4,5-dihydro-1,2-thiazole?
1-chloro-1-phenyl-4,5-dihydro-1,2-thiazole has a molecular weight of 199.71 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-phenyl-4,5-dihydro-1,2-thiazole is sourced from PubChem (CID 140505237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).