N-(3-methoxy-2-pyridinyl)-N-methyl-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide

C15H17N3O3S — CID 146084363

IUPACN-(3-methoxy-2-pyridinyl)-N-methyl-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide
SMILESCOc1cccnc1N(C)C(=O)c1csc(C2CCCO2)n1
InChIInChI=1S/C15H17N3O3S/c1-18(13-11(20-2)5-3-7-16-13)15(19)10-9-22-14(17-10)12-6-4-8-21-12/h3,5,7,9,12H,4,6,8H2,1-2H3
InChIKeyDYFQRXBVKODIQQ-UHFFFAOYSA-N
MW319.39 g/mol
LogP2.67
Rot. Bonds4

About N-(3-methoxy-2-pyridinyl)-N-methyl-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide

N-(3-methoxy-2-pyridinyl)-N-methyl-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 146084363) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is N-(3-methoxy-2-pyridinyl)-N-methyl-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxy-2-pyridinyl)-N-methyl-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID146084363
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC NameN-(3-methoxy-2-pyridinyl)-N-methyl-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide
SMILESCOc1cccnc1N(C)C(=O)c1csc(C2CCCO2)n1
InChIInChI=1S/C15H17N3O3S/c1-18(13-11(20-2)5-3-7-16-13)15(19)10-9-22-14(17-10)12-6-4-8-21-12/h3,5,7,9,12H,4,6,8H2,1-2H3
InChIKeyDYFQRXBVKODIQQ-UHFFFAOYSA-N
XLogP2.67
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(cyclopropylmethyl)-2-[(2R)-oxolan-2-yl]-N-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 97078479
N-(3-methoxy-2-pyridinyl)-N-methyl-2-(oxan-2-yl)acetamide
CID 146083443
N-(3-hydroxybutyl)-N-methyl-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide
CID 109477905
4-[methyl-[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]butanoic acid
CID 120513919
N-(3-methoxy-2-pyridinyl)-N-methylcarbamothioate
CID 18398606
2-(oxolan-2-yl)-4-(quinolin-8-yloxymethyl)-1,3-thiazole
CID 126774127
N-cyclopropyl-2-[(2R)-oxolan-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 99716528
N-[(1S)-3-methyl-1-pyridin-2-ylbutyl]-2-[(2R)-oxolan-2-yl]-1,3-thiazole-4-carboxamide
CID 97244066
4-(dimethoxymethyl)-2-(oxolan-2-yl)-1,3-thiazole
CID 66056930
3-[[2-(2-methoxyphenyl)-1,3-thiazole-4-carbonyl]-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid
CID 125154391
2-methyl-5-[[methyl-[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]methyl]furan-3-carboxylic acid
CID 120523017
N-(2-methoxycycloheptyl)-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide
CID 84590927

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-2-pyridinyl)-N-methyl-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3-methoxy-2-pyridinyl)-N-methyl-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide (CID 146084363) is N-(3-methoxy-2-pyridinyl)-N-methyl-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3-methoxy-2-pyridinyl)-N-methyl-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3-methoxy-2-pyridinyl)-N-methyl-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide is COc1cccnc1N(C)C(=O)c1csc(C2CCCO2)n1.
What is the InChIKey of N-(3-methoxy-2-pyridinyl)-N-methyl-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is DYFQRXBVKODIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-18(13-11(20-2)5-3-7-16-13)15(19)10-9-22-14(17-10)12-6-4-8-21-12/h3,5,7,9,12H,4,6,8H2,1-2H3.
What are the key properties of N-(3-methoxy-2-pyridinyl)-N-methyl-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide?
N-(3-methoxy-2-pyridinyl)-N-methyl-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 319.39 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-2-pyridinyl)-N-methyl-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 146084363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).