N-[(2-methoxy-4-pyridinyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

C13H15N3O2S — CID 47146135

IUPACN-[(2-methoxy-4-pyridinyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCOc1cc(CNC(=O)c2sc(C)nc2C)ccn1
InChIInChI=1S/C13H15N3O2S/c1-8-12(19-9(2)16-8)13(17)15-7-10-4-5-14-11(6-10)18-3/h4-6H,7H2,1-3H3,(H,15,17)
InChIKeyHENGPFTVUVLZJM-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.09
Rot. Bonds4

About N-[(2-methoxy-4-pyridinyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

N-[(2-methoxy-4-pyridinyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 47146135) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-[(2-methoxy-4-pyridinyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxy-4-pyridinyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID47146135
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC NameN-[(2-methoxy-4-pyridinyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCOc1cc(CNC(=O)c2sc(C)nc2C)ccn1
InChIInChI=1S/C13H15N3O2S/c1-8-12(19-9(2)16-8)13(17)15-7-10-4-5-14-11(6-10)18-3/h4-6H,7H2,1-3H3,(H,15,17)
InChIKeyHENGPFTVUVLZJM-UHFFFAOYSA-N
XLogP2.09
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methoxy-4-pyridinyl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 51088106
5-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]-2-methoxybenzoic acid
CID 154795566
methyl 3-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]benzoate
CID 71971159
4-amino-2-(ethylamino)-N-[(2-methoxy-4-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
CID 116665794
N-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-carboxamide
CID 47142420
4-amino-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-2-carboxamide
CID 62991134
5-fluoro-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylpyridine-2-carboxamide
CID 146080383
2-(4-methoxyphenoxy)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 47019682
4-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]naphthalene-1-carboxamide
CID 18277956
N-[(2-methoxyphenyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 26734258
4-amino-N-[(2-methoxy-4-pyridinyl)methyl]-6-methylpyridine-3-carboxamide
CID 81242051
2,4-dimethyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-1,3-thiazole-5-carboxamide
CID 75477078

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-4-pyridinyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(2-methoxy-4-pyridinyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 47146135) is N-[(2-methoxy-4-pyridinyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(2-methoxy-4-pyridinyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(2-methoxy-4-pyridinyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is COc1cc(CNC(=O)c2sc(C)nc2C)ccn1.
What is the InChIKey of N-[(2-methoxy-4-pyridinyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is HENGPFTVUVLZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-8-12(19-9(2)16-8)13(17)15-7-10-4-5-14-11(6-10)18-3/h4-6H,7H2,1-3H3,(H,15,17).
What are the key properties of N-[(2-methoxy-4-pyridinyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
N-[(2-methoxy-4-pyridinyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-4-pyridinyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47146135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).