3-(4-methyl-1,3-thiazol-5-yl)-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)propanamide

C18H23N3O2S — CID 96577763

IUPAC3-(4-methyl-1,3-thiazol-5-yl)-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)propanamide
SMILESCc1ncsc1CCC(=O)N(Cc1ccccn1)C[C@@H]1CCCO1
InChIInChI=1S/C18H23N3O2S/c1-14-17(24-13-20-14)7-8-18(22)21(12-16-6-4-10-23-16)11-15-5-2-3-9-19-15/h2-3,5,9,13,16H,4,6-8,10-12H2,1H3/t16-/m0/s1
InChIKeyLXPYJAFBLCZAHI-INIZCTEOSA-N
MW345.47 g/mol
LogP2.99
Rot. Bonds7

About 3-(4-methyl-1,3-thiazol-5-yl)-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)propanamide

3-(4-methyl-1,3-thiazol-5-yl)-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 96577763) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 3-(4-methyl-1,3-thiazol-5-yl)-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(4-methyl-1,3-thiazol-5-yl)-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)propanamide
PubChem CID96577763
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name3-(4-methyl-1,3-thiazol-5-yl)-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)propanamide
SMILESCc1ncsc1CCC(=O)N(Cc1ccccn1)C[C@@H]1CCCO1
InChIInChI=1S/C18H23N3O2S/c1-14-17(24-13-20-14)7-8-18(22)21(12-16-6-4-10-23-16)11-15-5-2-3-9-19-15/h2-3,5,9,13,16H,4,6-8,10-12H2,1H3/t16-/m0/s1
InChIKeyLXPYJAFBLCZAHI-INIZCTEOSA-N
XLogP2.99
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)propanamide
CID 99928643
2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide
CID 47000481
2,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 95149228
2-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 95129192
6-methyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)pyran-2-carboxamide
CID 99953564
4-(3,5-dimethylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)oxane-4-carboxamide
CID 92612247
N-[(1-cyclopentylpiperidin-4-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-3-pyridin-2-ylpropanamide
CID 42292205
N-[(1-cyclopentylpiperidin-4-yl)methyl]-N-(oxolan-2-ylmethyl)-3-pyridin-2-ylpropanamide
CID 45185082
5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[[4-(2-pyridin-2-ylethoxy)phenyl]methyl]thiophene-2-carboxamide
CID 26280109
3-(1,2-oxazol-3-ylmethyl)-1-(oxolan-2-ylmethyl)-1-(pyridin-2-ylmethyl)urea
CID 119066058
1,4,7-trimethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)indole-2-carboxamide
CID 46979247
4-(5-amino-3-methylpyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 92613637

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-1,3-thiazol-5-yl)-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 3-(4-methyl-1,3-thiazol-5-yl)-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)propanamide (CID 96577763) is 3-(4-methyl-1,3-thiazol-5-yl)-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(4-methyl-1,3-thiazol-5-yl)-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 3-(4-methyl-1,3-thiazol-5-yl)-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)propanamide is Cc1ncsc1CCC(=O)N(Cc1ccccn1)C[C@@H]1CCCO1.
What is the InChIKey of 3-(4-methyl-1,3-thiazol-5-yl)-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is LXPYJAFBLCZAHI-INIZCTEOSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-14-17(24-13-20-14)7-8-18(22)21(12-16-6-4-10-23-16)11-15-5-2-3-9-19-15/h2-3,5,9,13,16H,4,6-8,10-12H2,1H3/t16-/m0/s1.
What are the key properties of 3-(4-methyl-1,3-thiazol-5-yl)-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)propanamide?
3-(4-methyl-1,3-thiazol-5-yl)-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 345.47 g/mol, XLogP of 2.99, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-1,3-thiazol-5-yl)-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 96577763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).