2-[1-(1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one

C14H18N2O2S — CID 103766476

IUPAC2-[1-(1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one
SMILESO=C1CCCCC1C1CCCN1C(=O)c1cncs1
InChIInChI=1S/C14H18N2O2S/c17-12-6-2-1-4-10(12)11-5-3-7-16(11)14(18)13-8-15-9-19-13/h8-11H,1-7H2
InChIKeyHWUGKALDCKRVDS-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.51
Rot. Bonds2

About 2-[1-(1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one

2-[1-(1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one (PubChem CID 103766476) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-[1-(1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[1-(1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one
PubChem CID103766476
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name2-[1-(1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one
SMILESO=C1CCCCC1C1CCCN1C(=O)c1cncs1
InChIInChI=1S/C14H18N2O2S/c17-12-6-2-1-4-10(12)11-5-3-7-16(11)14(18)13-8-15-9-19-13/h8-11H,1-7H2
InChIKeyHWUGKALDCKRVDS-UHFFFAOYSA-N
XLogP2.51
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one?
The IUPAC name of 2-[1-(1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one (CID 103766476) is 2-[1-(1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one.
What is the SMILES notation for 2-[1-(1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one?
The canonical SMILES for 2-[1-(1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one is O=C1CCCCC1C1CCCN1C(=O)c1cncs1.
What is the InChIKey of 2-[1-(1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one?
The InChIKey is HWUGKALDCKRVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c17-12-6-2-1-4-10(12)11-5-3-7-16(11)14(18)13-8-15-9-19-13/h8-11H,1-7H2.
What are the key properties of 2-[1-(1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one?
2-[1-(1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one has a molecular weight of 278.38 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one is sourced from PubChem (CID 103766476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).