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

C15H24N2O3S — CID 115362655

IUPACN-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
SMILESCc1csc(=O)n1CCCC(=O)NCC1(CO)CCCC1
InChIInChI=1S/C15H24N2O3S/c1-12-9-21-14(20)17(12)8-4-5-13(19)16-10-15(11-18)6-2-3-7-15/h9,18H,2-8,10-11H2,1H3,(H,16,19)
InChIKeyPELUNMUJBQGRMV-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.67
Rot. Bonds7

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

N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide (PubChem CID 115362655) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
PubChem CID115362655
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
SMILESCc1csc(=O)n1CCCC(=O)NCC1(CO)CCCC1
InChIInChI=1S/C15H24N2O3S/c1-12-9-21-14(20)17(12)8-4-5-13(19)16-10-15(11-18)6-2-3-7-15/h9,18H,2-8,10-11H2,1H3,(H,16,19)
InChIKeyPELUNMUJBQGRMV-UHFFFAOYSA-N
XLogP1.67
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 114751204
N-[(1-hydroxycyclohexyl)methyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 65114101
N-[(1-hydroxycycloheptyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 111428641
N-[(2-hydroxycyclohexyl)methyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 64913009
3-methyl-4-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]butanoic acid
CID 81064889
N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 103800672
N-[(2R)-1-hydroxypropan-2-yl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 79027328
2-[[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]methyl]pentanoic acid
CID 65219440
N-(2-hydroxyethyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 110879152
N-[(1R,2R)-2-hydroxycyclohexyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 104927471
3-(4-hydroxybutyl)-4-methyl-1,3-thiazol-2-one
CID 43509713
N-[2-(hydroxymethyl)cyclohexyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 103860281

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide (CID 115362655) is N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide is Cc1csc(=O)n1CCCC(=O)NCC1(CO)CCCC1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The InChIKey is PELUNMUJBQGRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-12-9-21-14(20)17(12)8-4-5-13(19)16-10-15(11-18)6-2-3-7-15/h9,18H,2-8,10-11H2,1H3,(H,16,19).
What are the key properties of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide has a molecular weight of 312.44 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide is sourced from PubChem (CID 115362655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).