N-[(1-hydroxycycloheptyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide

C15H24N2O3S — CID 111428641

IUPACN-[(1-hydroxycycloheptyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
SMILESCc1csc(=O)n1CCC(=O)NCC1(O)CCCCCC1
InChIInChI=1S/C15H24N2O3S/c1-12-10-21-14(19)17(12)9-6-13(18)16-11-15(20)7-4-2-3-5-8-15/h10,20H,2-9,11H2,1H3,(H,16,18)
InChIKeyFJIPTPCOQXGNTQ-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.81
Rot. Bonds5

About N-[(1-hydroxycycloheptyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide

N-[(1-hydroxycycloheptyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide (PubChem CID 111428641) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-[(1-hydroxycycloheptyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[(1-hydroxycycloheptyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
PubChem CID111428641
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-[(1-hydroxycycloheptyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
SMILESCc1csc(=O)n1CCC(=O)NCC1(O)CCCCCC1
InChIInChI=1S/C15H24N2O3S/c1-12-10-21-14(19)17(12)9-6-13(18)16-11-15(20)7-4-2-3-5-8-15/h10,20H,2-9,11H2,1H3,(H,16,18)
InChIKeyFJIPTPCOQXGNTQ-UHFFFAOYSA-N
XLogP1.81
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1-hydroxycycloheptyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-hydroxycyclohexyl)methyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 65114101
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 115362655
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 114751204
4-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]butanoic acid
CID 119352737
N-[(3-hydroxyoxolan-3-yl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 103849576
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 60669041
N-[(1-hydroxycyclopentyl)methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 111331415
N-(3,5-dimethylphenyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 27162796
N-[(1-hydroxycyclohexyl)methyl]-3-pyrrolidin-1-ylpropanamide
CID 79209328
N-[(4-acetamidophenyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 24628966
N-[(2-hydroxycyclohexyl)methyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 64913009
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 134029589

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycycloheptyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The IUPAC name of N-[(1-hydroxycycloheptyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide (CID 111428641) is N-[(1-hydroxycycloheptyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide.
What is the SMILES notation for N-[(1-hydroxycycloheptyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The canonical SMILES for N-[(1-hydroxycycloheptyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide is Cc1csc(=O)n1CCC(=O)NCC1(O)CCCCCC1.
What is the InChIKey of N-[(1-hydroxycycloheptyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The InChIKey is FJIPTPCOQXGNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-12-10-21-14(19)17(12)9-6-13(18)16-11-15(20)7-4-2-3-5-8-15/h10,20H,2-9,11H2,1H3,(H,16,18).
What are the key properties of N-[(1-hydroxycycloheptyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
N-[(1-hydroxycycloheptyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide has a molecular weight of 312.44 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycycloheptyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide is sourced from PubChem (CID 111428641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).