N-[(1S)-3-methyl-1-pyridin-2-ylbutyl]-2-[(2R)-oxolan-2-yl]-1,3-thiazole-4-carboxamide

C18H23N3O2S — CID 97244066

IUPACN-[(1S)-3-methyl-1-pyridin-2-ylbutyl]-2-[(2R)-oxolan-2-yl]-1,3-thiazole-4-carboxamide
SMILESCC(C)C[C@H](NC(=O)c1csc([C@H]2CCCO2)n1)c1ccccn1
InChIInChI=1S/C18H23N3O2S/c1-12(2)10-14(13-6-3-4-8-19-13)20-17(22)15-11-24-18(21-15)16-7-5-9-23-16/h3-4,6,8,11-12,14,16H,5,7,9-10H2,1-2H3,(H,20,22)/t14-,16+/m0/s1
InChIKeyLIGOZISURGMTDT-GOEBONIOSA-N
MW345.47 g/mol
LogP3.91
Rot. Bonds6

About N-[(1S)-3-methyl-1-pyridin-2-ylbutyl]-2-[(2R)-oxolan-2-yl]-1,3-thiazole-4-carboxamide

N-[(1S)-3-methyl-1-pyridin-2-ylbutyl]-2-[(2R)-oxolan-2-yl]-1,3-thiazole-4-carboxamide (PubChem CID 97244066) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[(1S)-3-methyl-1-pyridin-2-ylbutyl]-2-[(2R)-oxolan-2-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-3-methyl-1-pyridin-2-ylbutyl]-2-[(2R)-oxolan-2-yl]-1,3-thiazole-4-carboxamide
PubChem CID97244066
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-[(1S)-3-methyl-1-pyridin-2-ylbutyl]-2-[(2R)-oxolan-2-yl]-1,3-thiazole-4-carboxamide
SMILESCC(C)C[C@H](NC(=O)c1csc([C@H]2CCCO2)n1)c1ccccn1
InChIInChI=1S/C18H23N3O2S/c1-12(2)10-14(13-6-3-4-8-19-13)20-17(22)15-11-24-18(21-15)16-7-5-9-23-16/h3-4,6,8,11-12,14,16H,5,7,9-10H2,1-2H3,(H,20,22)/t14-,16+/m0/s1
InChIKeyLIGOZISURGMTDT-GOEBONIOSA-N
XLogP3.91
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1S)-3-methyl-1-pyridin-2-ylbutyl]-2-[(2R)-oxolan-2-yl]-1,3-thiazole-4-carboxamide 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-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-[(2S)-oxolan-2-yl]-1,3-thiazole-4-carboxamide
CID 97331883
(2R)-2-[[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]propanoic acid
CID 120526981
2-[(2R)-oxolan-2-yl]-N-[(2S)-2-phenylpropyl]sulfonyl-1,3-thiazole-4-carboxamide
CID 99718728
2-[(2R)-oxolan-2-yl]-N-[(2R)-2-phenylpropyl]sulfonyl-1,3-thiazole-4-carboxamide
CID 99718727
1-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(1R)-3-methyl-1-pyridin-2-ylbutyl]urea
CID 97242838
1-[(2S,4S)-2-cyclopropyloxan-4-yl]-3-[(1S)-3-methyl-1-pyridin-2-ylbutyl]urea
CID 97308610
N-[(2-hydroxycyclopentyl)methyl]-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide
CID 109476494
4-[[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]butanoic acid
CID 120513455
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide
CID 109481376
N-(3-methoxy-2-pyridinyl)-N-methyl-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide
CID 146084363
1-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]ethanol
CID 65328718
1-[[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 120530552

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-methyl-1-pyridin-2-ylbutyl]-2-[(2R)-oxolan-2-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(1S)-3-methyl-1-pyridin-2-ylbutyl]-2-[(2R)-oxolan-2-yl]-1,3-thiazole-4-carboxamide (CID 97244066) is N-[(1S)-3-methyl-1-pyridin-2-ylbutyl]-2-[(2R)-oxolan-2-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(1S)-3-methyl-1-pyridin-2-ylbutyl]-2-[(2R)-oxolan-2-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(1S)-3-methyl-1-pyridin-2-ylbutyl]-2-[(2R)-oxolan-2-yl]-1,3-thiazole-4-carboxamide is CC(C)C[C@H](NC(=O)c1csc([C@H]2CCCO2)n1)c1ccccn1.
What is the InChIKey of N-[(1S)-3-methyl-1-pyridin-2-ylbutyl]-2-[(2R)-oxolan-2-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is LIGOZISURGMTDT-GOEBONIOSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-12(2)10-14(13-6-3-4-8-19-13)20-17(22)15-11-24-18(21-15)16-7-5-9-23-16/h3-4,6,8,11-12,14,16H,5,7,9-10H2,1-2H3,(H,20,22)/t14-,16+/m0/s1.
What are the key properties of N-[(1S)-3-methyl-1-pyridin-2-ylbutyl]-2-[(2R)-oxolan-2-yl]-1,3-thiazole-4-carboxamide?
N-[(1S)-3-methyl-1-pyridin-2-ylbutyl]-2-[(2R)-oxolan-2-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-methyl-1-pyridin-2-ylbutyl]-2-[(2R)-oxolan-2-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 97244066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).