N-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-5-propan-2-ylpyridine-2-carboxamide

C17H23N3O2S — CID 164642027

IUPACN-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-5-propan-2-ylpyridine-2-carboxamide
SMILESCO[C@@H](C)c1nc(CN(C)C(=O)c2ccc(C(C)C)cn2)cs1
InChIInChI=1S/C17H23N3O2S/c1-11(2)13-6-7-15(18-8-13)17(21)20(4)9-14-10-23-16(19-14)12(3)22-5/h6-8,10-12H,9H2,1-5H3/t12-/m0/s1
InChIKeyGFMLCUCIARDPOA-LBPRGKRZSA-N
MW333.46 g/mol
LogP3.64
Rot. Bonds6

About N-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-5-propan-2-ylpyridine-2-carboxamide

N-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-5-propan-2-ylpyridine-2-carboxamide (PubChem CID 164642027) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is N-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-5-propan-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-5-propan-2-ylpyridine-2-carboxamide
PubChem CID164642027
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC NameN-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-5-propan-2-ylpyridine-2-carboxamide
SMILESCO[C@@H](C)c1nc(CN(C)C(=O)c2ccc(C(C)C)cn2)cs1
InChIInChI=1S/C17H23N3O2S/c1-11(2)13-6-7-15(18-8-13)17(21)20(4)9-14-10-23-16(19-14)12(3)22-5/h6-8,10-12H,9H2,1-5H3/t12-/m0/s1
InChIKeyGFMLCUCIARDPOA-LBPRGKRZSA-N
XLogP3.64
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-5-propan-2-ylpyridine-2-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,N-diethyl-4-[pyridin-2-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]benzamide
CID 57402288
N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridine-2-carboxamide
CID 71547445
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyridine-2-carboxamide
CID 84462506
N-[1-(cyanomethylcarbamoyl)cyclohexyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 11588744
N,N-dimethyl-4-[pyridin-2-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]benzamide
CID 46869046
N-ethyl-N-methyl-4-[(R)-pyridin-3-yl-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methyl]benzamide
CID 57401137
5-[[4-[(2-Methoxyethylamino)methyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 71060837
5-cyclopropyl-6-(3-methylphenyl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide
CID 71105601
3-{1-[(2-isopropyl-1,3-thiazol-4-yl)carbonyl]piperidin-3-yl}-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 16192029
Morpholin-4-yl-(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone
CID 23467920
2-[[2-(3-Acetylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid
CID 44571209
N-methyl-N-(2-pyridin-2-ylethyl)-3-[1-(1,3-thiazol-4-ylcarbonyl)piperidin-3-yl]propanamide
CID 16191635

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-5-propan-2-ylpyridine-2-carboxamide?
The IUPAC name of N-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-5-propan-2-ylpyridine-2-carboxamide (CID 164642027) is N-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-5-propan-2-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-5-propan-2-ylpyridine-2-carboxamide?
The canonical SMILES for N-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-5-propan-2-ylpyridine-2-carboxamide is CO[C@@H](C)c1nc(CN(C)C(=O)c2ccc(C(C)C)cn2)cs1.
What is the InChIKey of N-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-5-propan-2-ylpyridine-2-carboxamide?
The InChIKey is GFMLCUCIARDPOA-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-11(2)13-6-7-15(18-8-13)17(21)20(4)9-14-10-23-16(19-14)12(3)22-5/h6-8,10-12H,9H2,1-5H3/t12-/m0/s1.
What are the key properties of N-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-5-propan-2-ylpyridine-2-carboxamide?
N-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-5-propan-2-ylpyridine-2-carboxamide has a molecular weight of 333.46 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-5-propan-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 164642027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).