N-cycloheptyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide

C14H22N2O2S — CID 4963584

IUPACN-cycloheptyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
SMILESCc1csc(=O)n1CCC(=O)NC1CCCCCC1
InChIInChI=1S/C14H22N2O2S/c1-11-10-19-14(18)16(11)9-8-13(17)15-12-6-4-2-3-5-7-12/h10,12H,2-9H2,1H3,(H,15,17)
InChIKeyJWNUZVMCVUTXBM-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.45
Rot. Bonds4

About N-cycloheptyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide

N-cycloheptyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide (PubChem CID 4963584) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-cycloheptyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide.

Molecular Properties

Compound NameN-cycloheptyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
PubChem CID4963584
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-cycloheptyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
SMILESCc1csc(=O)n1CCC(=O)NC1CCCCCC1
InChIInChI=1S/C14H22N2O2S/c1-11-10-19-14(18)16(11)9-8-13(17)15-12-6-4-2-3-5-7-12/h10,12H,2-9H2,1H3,(H,15,17)
InChIKeyJWNUZVMCVUTXBM-UHFFFAOYSA-N
XLogP2.45
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The IUPAC name of N-cycloheptyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide (CID 4963584) is N-cycloheptyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide.
What is the SMILES notation for N-cycloheptyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The canonical SMILES for N-cycloheptyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide is Cc1csc(=O)n1CCC(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The InChIKey is JWNUZVMCVUTXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-11-10-19-14(18)16(11)9-8-13(17)15-12-6-4-2-3-5-7-12/h10,12H,2-9H2,1H3,(H,15,17).
What are the key properties of N-cycloheptyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
N-cycloheptyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide has a molecular weight of 282.41 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide is sourced from PubChem (CID 4963584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).