2-(methoxymethyl)-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-1,3-thiazole-4-carboxamide

C13H19N3O2S — CID 127747471

IUPAC2-(methoxymethyl)-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCOCc1nc(C(=O)NCC2=CCN(C)CC2)cs1
InChIInChI=1S/C13H19N3O2S/c1-16-5-3-10(4-6-16)7-14-13(17)11-9-19-12(15-11)8-18-2/h3,9H,4-8H2,1-2H3,(H,14,17)
InChIKeyPQGRYUUNVZWENG-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.28
Rot. Bonds5

About 2-(methoxymethyl)-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-1,3-thiazole-4-carboxamide

2-(methoxymethyl)-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 127747471) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-(methoxymethyl)-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(methoxymethyl)-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID127747471
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name2-(methoxymethyl)-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCOCc1nc(C(=O)NCC2=CCN(C)CC2)cs1
InChIInChI=1S/C13H19N3O2S/c1-16-5-3-10(4-6-16)7-14-13(17)11-9-19-12(15-11)8-18-2/h3,9H,4-8H2,1-2H3,(H,14,17)
InChIKeyPQGRYUUNVZWENG-UHFFFAOYSA-N
XLogP1.28
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(methoxymethyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide
CID 48595046
2-(methoxymethyl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 48574705
4-[[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119229809
2-(aminomethyl)-N-[[3-(methoxymethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119718237
N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(methoxymethyl)-1,3-thiazole-4-carboxamide
CID 95156376
N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-2-phenylmethoxyacetamide
CID 50950025
[2-(methoxymethyl)-1,3-thiazol-4-yl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95569150
2-[4-[2-[[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]amino]ethyl]phenoxy]acetic acid
CID 119255767
[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
CID 96500660
N-(2-methoxyethyl)-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole-4-carboxamide
CID 42851064
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 30094775
methyl 2-(2-methoxyethyl)-1,3-thiazole-4-carboxylate
CID 115422665

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(methoxymethyl)-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-1,3-thiazole-4-carboxamide (CID 127747471) is 2-(methoxymethyl)-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(methoxymethyl)-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(methoxymethyl)-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-1,3-thiazole-4-carboxamide is COCc1nc(C(=O)NCC2=CCN(C)CC2)cs1.
What is the InChIKey of 2-(methoxymethyl)-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is PQGRYUUNVZWENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-16-5-3-10(4-6-16)7-14-13(17)11-9-19-12(15-11)8-18-2/h3,9H,4-8H2,1-2H3,(H,14,17).
What are the key properties of 2-(methoxymethyl)-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-1,3-thiazole-4-carboxamide?
2-(methoxymethyl)-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 281.38 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 127747471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).