[2-(methoxymethyl)-1,3-thiazol-4-yl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone

C15H17N3O2S — CID 48591831

IUPAC[2-(methoxymethyl)-1,3-thiazol-4-yl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
SMILESCOCc1nc(C(=O)N2CCCC2c2ccncc2)cs1
InChIInChI=1S/C15H17N3O2S/c1-20-9-14-17-12(10-21-14)15(19)18-8-2-3-13(18)11-4-6-16-7-5-11/h4-7,10,13H,2-3,8-9H2,1H3
InChIKeyUCKDJXQNKPFLBF-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.66
Rot. Bonds4

About [2-(methoxymethyl)-1,3-thiazol-4-yl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone

[2-(methoxymethyl)-1,3-thiazol-4-yl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone (PubChem CID 48591831) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is [2-(methoxymethyl)-1,3-thiazol-4-yl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(methoxymethyl)-1,3-thiazol-4-yl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
PubChem CID48591831
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name[2-(methoxymethyl)-1,3-thiazol-4-yl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
SMILESCOCc1nc(C(=O)N2CCCC2c2ccncc2)cs1
InChIInChI=1S/C15H17N3O2S/c1-20-9-14-17-12(10-21-14)15(19)18-8-2-3-13(18)11-4-6-16-7-5-11/h4-7,10,13H,2-3,8-9H2,1H3
InChIKeyUCKDJXQNKPFLBF-UHFFFAOYSA-N
XLogP2.66
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N4-benzyl-2-(3-pyridyl)-1,3-thiazole-4-carboxamide
CID 2824333
2-phenyl-N-(2-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 46546339
4-Thiazolecarboxamide, 2-(4-pyridinyl)-
CID 2824500
2-phenyl-N,N-bis(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 2738485
3-{1-[(2-isopropyl-1,3-thiazol-4-yl)carbonyl]piperidin-3-yl}-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 16192029
N-(4-morpholin-4-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 44449427
4-Thiazolecarboxamide, N-methyl-2-(4-pyridinyl)-
CID 1483696
Ethyl 2-[5-(trifluoromethyl)pyridin-2-yl]-1,3-thiazole-4-carboxylate
CID 2746007
N-methyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 20362720
Morpholin-4-yl-(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone
CID 23467920
2-methyl-N-(2-pyridin-4-ylethyl)-1,3-thiazole-4-carboxamide
CID 152181257
2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]-1-[(2S)-2-pyridin-4-ylpyrrolidin-1-yl]ethanone
CID 32820372

Frequently Asked Questions

What is the IUPAC name of [2-(methoxymethyl)-1,3-thiazol-4-yl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone?
The IUPAC name of [2-(methoxymethyl)-1,3-thiazol-4-yl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone (CID 48591831) is [2-(methoxymethyl)-1,3-thiazol-4-yl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [2-(methoxymethyl)-1,3-thiazol-4-yl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for [2-(methoxymethyl)-1,3-thiazol-4-yl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone is COCc1nc(C(=O)N2CCCC2c2ccncc2)cs1.
What is the InChIKey of [2-(methoxymethyl)-1,3-thiazol-4-yl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone?
The InChIKey is UCKDJXQNKPFLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-20-9-14-17-12(10-21-14)15(19)18-8-2-3-13(18)11-4-6-16-7-5-11/h4-7,10,13H,2-3,8-9H2,1H3.
What are the key properties of [2-(methoxymethyl)-1,3-thiazol-4-yl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone?
[2-(methoxymethyl)-1,3-thiazol-4-yl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone has a molecular weight of 303.39 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methoxymethyl)-1,3-thiazol-4-yl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 48591831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).