4-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohex-3-en-1-one

C11H13NOS — CID 169321154

IUPAC4-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohex-3-en-1-one
SMILESCc1nc(C2=CCC(=O)CC2)sc1C
InChIInChI=1S/C11H13NOS/c1-7-8(2)14-11(12-7)9-3-5-10(13)6-4-9/h3H,4-6H2,1-2H3
InChIKeyNFLSRVPVHCVMFW-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.90
Rot. Bonds1

About 4-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohex-3-en-1-one

4-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohex-3-en-1-one (PubChem CID 169321154) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is 4-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohex-3-en-1-one.

Molecular Properties

Compound Name4-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohex-3-en-1-one
PubChem CID169321154
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name4-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohex-3-en-1-one
SMILESCc1nc(C2=CCC(=O)CC2)sc1C
InChIInChI=1S/C11H13NOS/c1-7-8(2)14-11(12-7)9-3-5-10(13)6-4-9/h3H,4-6H2,1-2H3
InChIKeyNFLSRVPVHCVMFW-UHFFFAOYSA-N
XLogP2.90
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohex-3-en-1-one?
The IUPAC name of 4-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohex-3-en-1-one (CID 169321154) is 4-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohex-3-en-1-one.
What is the SMILES notation for 4-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohex-3-en-1-one?
The canonical SMILES for 4-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohex-3-en-1-one is Cc1nc(C2=CCC(=O)CC2)sc1C.
What is the InChIKey of 4-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohex-3-en-1-one?
The InChIKey is NFLSRVPVHCVMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS/c1-7-8(2)14-11(12-7)9-3-5-10(13)6-4-9/h3H,4-6H2,1-2H3.
What are the key properties of 4-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohex-3-en-1-one?
4-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohex-3-en-1-one has a molecular weight of 207.30 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohex-3-en-1-one is sourced from PubChem (CID 169321154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).