4-(6-chlorocyclohexa-2,4-dien-1-yl)-5-methyl-1,3-thiazole

C10H10ClNS — CID 163556464

IUPAC4-(6-chlorocyclohexa-2,4-dien-1-yl)-5-methyl-1,3-thiazole
SMILESCc1scnc1C1C=CC=CC1Cl
InChIInChI=1S/C10H10ClNS/c1-7-10(12-6-13-7)8-4-2-3-5-9(8)11/h2-6,8-9H,1H3
InChIKeyFNMHVGKLABRRIM-UHFFFAOYSA-N
MW211.72 g/mol
LogP3.27
Rot. Bonds1

About 4-(6-chlorocyclohexa-2,4-dien-1-yl)-5-methyl-1,3-thiazole

4-(6-chlorocyclohexa-2,4-dien-1-yl)-5-methyl-1,3-thiazole (PubChem CID 163556464) has the molecular formula C10H10ClNS and a molecular weight of 211.72 g/mol. Its IUPAC name is 4-(6-chlorocyclohexa-2,4-dien-1-yl)-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-(6-chlorocyclohexa-2,4-dien-1-yl)-5-methyl-1,3-thiazole
PubChem CID163556464
Molecular FormulaC10H10ClNS
Molecular Weight211.72 g/mol
Exact Mass211.02
IUPAC Name4-(6-chlorocyclohexa-2,4-dien-1-yl)-5-methyl-1,3-thiazole
SMILESCc1scnc1C1C=CC=CC1Cl
InChIInChI=1S/C10H10ClNS/c1-7-10(12-6-13-7)8-4-2-3-5-9(8)11/h2-6,8-9H,1H3
InChIKeyFNMHVGKLABRRIM-UHFFFAOYSA-N
XLogP3.27
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.72
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chlorocyclohexa-2,4-dien-1-yl)-5-methyl-1,3-thiazole?
The IUPAC name of 4-(6-chlorocyclohexa-2,4-dien-1-yl)-5-methyl-1,3-thiazole (CID 163556464) is 4-(6-chlorocyclohexa-2,4-dien-1-yl)-5-methyl-1,3-thiazole.
What is the SMILES notation for 4-(6-chlorocyclohexa-2,4-dien-1-yl)-5-methyl-1,3-thiazole?
The canonical SMILES for 4-(6-chlorocyclohexa-2,4-dien-1-yl)-5-methyl-1,3-thiazole is Cc1scnc1C1C=CC=CC1Cl.
What is the InChIKey of 4-(6-chlorocyclohexa-2,4-dien-1-yl)-5-methyl-1,3-thiazole?
The InChIKey is FNMHVGKLABRRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNS/c1-7-10(12-6-13-7)8-4-2-3-5-9(8)11/h2-6,8-9H,1H3.
What are the key properties of 4-(6-chlorocyclohexa-2,4-dien-1-yl)-5-methyl-1,3-thiazole?
4-(6-chlorocyclohexa-2,4-dien-1-yl)-5-methyl-1,3-thiazole has a molecular weight of 211.72 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chlorocyclohexa-2,4-dien-1-yl)-5-methyl-1,3-thiazole is sourced from PubChem (CID 163556464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).