N-[1-(hydroxymethyl)cyclopentyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide

C14H22N2O3S — CID 62517927

IUPACN-[1-(hydroxymethyl)cyclopentyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
SMILESCc1csc(=O)n1CCCC(=O)NC1(CO)CCCC1
InChIInChI=1S/C14H22N2O3S/c1-11-9-20-13(19)16(11)8-4-5-12(18)15-14(10-17)6-2-3-7-14/h9,17H,2-8,10H2,1H3,(H,15,18)
InChIKeyMRGDXDFBMMRSCW-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.42
Rot. Bonds6

About N-[1-(hydroxymethyl)cyclopentyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide

N-[1-(hydroxymethyl)cyclopentyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide (PubChem CID 62517927) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclopentyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclopentyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
PubChem CID62517927
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-[1-(hydroxymethyl)cyclopentyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
SMILESCc1csc(=O)n1CCCC(=O)NC1(CO)CCCC1
InChIInChI=1S/C14H22N2O3S/c1-11-9-20-13(19)16(11)8-4-5-12(18)15-14(10-17)6-2-3-7-14/h9,17H,2-8,10H2,1H3,(H,15,18)
InChIKeyMRGDXDFBMMRSCW-UHFFFAOYSA-N
XLogP1.42
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclopentyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclopentyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide (CID 62517927) is N-[1-(hydroxymethyl)cyclopentyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclopentyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclopentyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide is Cc1csc(=O)n1CCCC(=O)NC1(CO)CCCC1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclopentyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The InChIKey is MRGDXDFBMMRSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-11-9-20-13(19)16(11)8-4-5-12(18)15-14(10-17)6-2-3-7-14/h9,17H,2-8,10H2,1H3,(H,15,18).
What are the key properties of N-[1-(hydroxymethyl)cyclopentyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
N-[1-(hydroxymethyl)cyclopentyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide has a molecular weight of 298.41 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclopentyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide is sourced from PubChem (CID 62517927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).