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

C15H23NOS — CID 147300266

IUPAC1-[(1R)-3-propan-2-ylcyclohexyl]-3-(1,3-thiazol-2-yl)propan-2-one
SMILESCC(C)C1CCC[C@@H](CC(=O)Cc2nccs2)C1
InChIInChI=1S/C15H23NOS/c1-11(2)13-5-3-4-12(8-13)9-14(17)10-15-16-6-7-18-15/h6-7,11-13H,3-5,8-10H2,1-2H3/t12-,13?/m1/s1
InChIKeyCVYDEMJZTSAAFF-PZORYLMUSA-N
MW265.42 g/mol
LogP4.11
Rot. Bonds5

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

1-[(1R)-3-propan-2-ylcyclohexyl]-3-(1,3-thiazol-2-yl)propan-2-one (PubChem CID 147300266) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 1-[(1R)-3-propan-2-ylcyclohexyl]-3-(1,3-thiazol-2-yl)propan-2-one.

Molecular Properties

Compound Name1-[(1R)-3-propan-2-ylcyclohexyl]-3-(1,3-thiazol-2-yl)propan-2-one
PubChem CID147300266
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name1-[(1R)-3-propan-2-ylcyclohexyl]-3-(1,3-thiazol-2-yl)propan-2-one
SMILESCC(C)C1CCC[C@@H](CC(=O)Cc2nccs2)C1
InChIInChI=1S/C15H23NOS/c1-11(2)13-5-3-4-12(8-13)9-14(17)10-15-16-6-7-18-15/h6-7,11-13H,3-5,8-10H2,1-2H3/t12-,13?/m1/s1
InChIKeyCVYDEMJZTSAAFF-PZORYLMUSA-N
XLogP4.11
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-3-propan-2-ylcyclohexyl]-3-(1,3-thiazol-2-yl)propan-2-one?
The IUPAC name of 1-[(1R)-3-propan-2-ylcyclohexyl]-3-(1,3-thiazol-2-yl)propan-2-one (CID 147300266) is 1-[(1R)-3-propan-2-ylcyclohexyl]-3-(1,3-thiazol-2-yl)propan-2-one.
What is the SMILES notation for 1-[(1R)-3-propan-2-ylcyclohexyl]-3-(1,3-thiazol-2-yl)propan-2-one?
The canonical SMILES for 1-[(1R)-3-propan-2-ylcyclohexyl]-3-(1,3-thiazol-2-yl)propan-2-one is CC(C)C1CCC[C@@H](CC(=O)Cc2nccs2)C1.
What is the InChIKey of 1-[(1R)-3-propan-2-ylcyclohexyl]-3-(1,3-thiazol-2-yl)propan-2-one?
The InChIKey is CVYDEMJZTSAAFF-PZORYLMUSA-N. The full InChI is InChI=1S/C15H23NOS/c1-11(2)13-5-3-4-12(8-13)9-14(17)10-15-16-6-7-18-15/h6-7,11-13H,3-5,8-10H2,1-2H3/t12-,13?/m1/s1.
What are the key properties of 1-[(1R)-3-propan-2-ylcyclohexyl]-3-(1,3-thiazol-2-yl)propan-2-one?
1-[(1R)-3-propan-2-ylcyclohexyl]-3-(1,3-thiazol-2-yl)propan-2-one has a molecular weight of 265.42 g/mol, XLogP of 4.11, 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-ylcyclohexyl]-3-(1,3-thiazol-2-yl)propan-2-one is sourced from PubChem (CID 147300266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).