5-(cyclohexen-1-yl)-1,3-thiazole

C9H11NS — CID 54428506

IUPAC5-(cyclohexen-1-yl)-1,3-thiazole
SMILESC1=C(c2cncs2)CCCC1
InChIInChI=1S/C9H11NS/c1-2-4-8(5-3-1)9-6-10-7-11-9/h4,6-7H,1-3,5H2
InChIKeyIIKCSPFDSNHBOP-UHFFFAOYSA-N
MW165.26 g/mol
LogP3.10
Rot. Bonds1

About 5-(cyclohexen-1-yl)-1,3-thiazole

5-(cyclohexen-1-yl)-1,3-thiazole (PubChem CID 54428506) has the molecular formula C9H11NS and a molecular weight of 165.26 g/mol. Its IUPAC name is 5-(cyclohexen-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name5-(cyclohexen-1-yl)-1,3-thiazole
PubChem CID54428506
Molecular FormulaC9H11NS
Molecular Weight165.26 g/mol
Exact Mass165.06
IUPAC Name5-(cyclohexen-1-yl)-1,3-thiazole
SMILESC1=C(c2cncs2)CCCC1
InChIInChI=1S/C9H11NS/c1-2-4-8(5-3-1)9-6-10-7-11-9/h4,6-7H,1-3,5H2
InChIKeyIIKCSPFDSNHBOP-UHFFFAOYSA-N
XLogP3.10
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexen-1-yl)-1,3-thiazole?
The IUPAC name of 5-(cyclohexen-1-yl)-1,3-thiazole (CID 54428506) is 5-(cyclohexen-1-yl)-1,3-thiazole.
What is the SMILES notation for 5-(cyclohexen-1-yl)-1,3-thiazole?
The canonical SMILES for 5-(cyclohexen-1-yl)-1,3-thiazole is C1=C(c2cncs2)CCCC1.
What is the InChIKey of 5-(cyclohexen-1-yl)-1,3-thiazole?
The InChIKey is IIKCSPFDSNHBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NS/c1-2-4-8(5-3-1)9-6-10-7-11-9/h4,6-7H,1-3,5H2.
What are the key properties of 5-(cyclohexen-1-yl)-1,3-thiazole?
5-(cyclohexen-1-yl)-1,3-thiazole has a molecular weight of 165.26 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexen-1-yl)-1,3-thiazole is sourced from PubChem (CID 54428506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).