1-[(1R)-3-propan-2-ylcyclohex-2-en-1-yl]-3-(1,3-thiazol-2-yl)propan-2-one

C15H21NOS — CID 147017160

IUPAC1-[(1R)-3-propan-2-ylcyclohex-2-en-1-yl]-3-(1,3-thiazol-2-yl)propan-2-one
SMILESCC(C)C1=C[C@@H](CC(=O)Cc2nccs2)CCC1
InChIInChI=1S/C15H21NOS/c1-11(2)13-5-3-4-12(8-13)9-14(17)10-15-16-6-7-18-15/h6-8,11-12H,3-5,9-10H2,1-2H3/t12-/m0/s1
InChIKeyAUZPVWVUESGZQJ-LBPRGKRZSA-N
MW263.41 g/mol
LogP4.03
Rot. Bonds5

About 1-[(1R)-3-propan-2-ylcyclohex-2-en-1-yl]-3-(1,3-thiazol-2-yl)propan-2-one

1-[(1R)-3-propan-2-ylcyclohex-2-en-1-yl]-3-(1,3-thiazol-2-yl)propan-2-one (PubChem CID 147017160) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is 1-[(1R)-3-propan-2-ylcyclohex-2-en-1-yl]-3-(1,3-thiazol-2-yl)propan-2-one.

Molecular Properties

Compound Name1-[(1R)-3-propan-2-ylcyclohex-2-en-1-yl]-3-(1,3-thiazol-2-yl)propan-2-one
PubChem CID147017160
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name1-[(1R)-3-propan-2-ylcyclohex-2-en-1-yl]-3-(1,3-thiazol-2-yl)propan-2-one
SMILESCC(C)C1=C[C@@H](CC(=O)Cc2nccs2)CCC1
InChIInChI=1S/C15H21NOS/c1-11(2)13-5-3-4-12(8-13)9-14(17)10-15-16-6-7-18-15/h6-8,11-12H,3-5,9-10H2,1-2H3/t12-/m0/s1
InChIKeyAUZPVWVUESGZQJ-LBPRGKRZSA-N
XLogP4.03
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Thiazol-2-yl-cyclohex-2-enone
CID 25234411
(9z)-1-(1,3-Thiazol-2-yl)octadec-9-en-1-one
CID 44453114
1-(Thiazol-2-yl)heptadec-8-en-1-one
CID 44589263
(4S)-6-methyl-4-(1,3-thiazol-2-yl)hept-5-en-2-one
CID 135045325
2,2,2-Trifluoro-1-[2-(1,3-thiazol-2-yl)spiro[3.5]non-2-en-3-yl]ethanone
CID 71670651
4,4-Dimethyl-6-(1,3-thiazol-2-yl)cyclohex-2-en-1-one
CID 18320148
4,4-Dimethyl-2-(1,3-thiazol-2-yl)cyclohex-2-en-1-one
CID 18320405
4,4-Dimethyl-6-methylidene-2-(1,3-thiazol-2-yl)cyclohex-2-en-1-one
CID 18320435
4,4-Dimethyl-5-(1,3-thiazol-2-yl)cyclohex-2-en-1-one
CID 56974408
4,4-Dimethyl-6-methylidene-5-(1,3-thiazol-2-yl)cyclohex-2-en-1-one
CID 57102722
4,4-Dimethyl-3-(1,3-thiazol-2-yl)cyclohex-2-en-1-one
CID 57177566
4,4-Dimethyl-6-methylidene-3-(1,3-thiazol-2-yl)cyclohex-2-en-1-one
CID 57190842

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-3-propan-2-ylcyclohex-2-en-1-yl]-3-(1,3-thiazol-2-yl)propan-2-one?
The IUPAC name of 1-[(1R)-3-propan-2-ylcyclohex-2-en-1-yl]-3-(1,3-thiazol-2-yl)propan-2-one (CID 147017160) is 1-[(1R)-3-propan-2-ylcyclohex-2-en-1-yl]-3-(1,3-thiazol-2-yl)propan-2-one.
What is the SMILES notation for 1-[(1R)-3-propan-2-ylcyclohex-2-en-1-yl]-3-(1,3-thiazol-2-yl)propan-2-one?
The canonical SMILES for 1-[(1R)-3-propan-2-ylcyclohex-2-en-1-yl]-3-(1,3-thiazol-2-yl)propan-2-one is CC(C)C1=C[C@@H](CC(=O)Cc2nccs2)CCC1.
What is the InChIKey of 1-[(1R)-3-propan-2-ylcyclohex-2-en-1-yl]-3-(1,3-thiazol-2-yl)propan-2-one?
The InChIKey is AUZPVWVUESGZQJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21NOS/c1-11(2)13-5-3-4-12(8-13)9-14(17)10-15-16-6-7-18-15/h6-8,11-12H,3-5,9-10H2,1-2H3/t12-/m0/s1.
What are the key properties of 1-[(1R)-3-propan-2-ylcyclohex-2-en-1-yl]-3-(1,3-thiazol-2-yl)propan-2-one?
1-[(1R)-3-propan-2-ylcyclohex-2-en-1-yl]-3-(1,3-thiazol-2-yl)propan-2-one has a molecular weight of 263.41 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-3-propan-2-ylcyclohex-2-en-1-yl]-3-(1,3-thiazol-2-yl)propan-2-one is sourced from PubChem (CID 147017160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).