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

C15H24N2O2S — CID 17396946

IUPACN-cycloheptyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
SMILESCc1csc(=O)n1CCCC(=O)NC1CCCCCC1
InChIInChI=1S/C15H24N2O2S/c1-12-11-20-15(19)17(12)10-6-9-14(18)16-13-7-4-2-3-5-8-13/h11,13H,2-10H2,1H3,(H,16,18)
InChIKeyZZSNTLDUZAZUKH-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.84
Rot. Bonds5

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

N-cycloheptyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide (PubChem CID 17396946) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-cycloheptyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide.

Molecular Properties

Compound NameN-cycloheptyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
PubChem CID17396946
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-cycloheptyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
SMILESCc1csc(=O)n1CCCC(=O)NC1CCCCCC1
InChIInChI=1S/C15H24N2O2S/c1-12-11-20-15(19)17(12)10-6-9-14(18)16-13-7-4-2-3-5-8-13/h11,13H,2-10H2,1H3,(H,16,18)
InChIKeyZZSNTLDUZAZUKH-UHFFFAOYSA-N
XLogP2.84
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The IUPAC name of N-cycloheptyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide (CID 17396946) is N-cycloheptyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide.
What is the SMILES notation for N-cycloheptyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The canonical SMILES for N-cycloheptyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide is Cc1csc(=O)n1CCCC(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The InChIKey is ZZSNTLDUZAZUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-12-11-20-15(19)17(12)10-6-9-14(18)16-13-7-4-2-3-5-8-13/h11,13H,2-10H2,1H3,(H,16,18).
What are the key properties of N-cycloheptyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
N-cycloheptyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide has a molecular weight of 296.44 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide is sourced from PubChem (CID 17396946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).