2-(methoxymethyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide

C16H17N5O2S — CID 48595046

IUPAC2-(methoxymethyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide
SMILESCOCc1nc(C(=O)NCc2ccc(-n3ccnc3C)nc2)cs1
InChIInChI=1S/C16H17N5O2S/c1-11-17-5-6-21(11)14-4-3-12(7-18-14)8-19-16(22)13-10-24-15(20-13)9-23-2/h3-7,10H,8-9H2,1-2H3,(H,19,22)
InChIKeyBJMRDBACWATFLG-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.11
Rot. Bonds6

About 2-(methoxymethyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide

2-(methoxymethyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 48595046) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is 2-(methoxymethyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(methoxymethyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID48595046
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC Name2-(methoxymethyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide
SMILESCOCc1nc(C(=O)NCc2ccc(-n3ccnc3C)nc2)cs1
InChIInChI=1S/C16H17N5O2S/c1-11-17-5-6-21(11)14-4-3-12(7-18-14)8-19-16(22)13-10-24-15(20-13)9-23-2/h3-7,10H,8-9H2,1-2H3,(H,19,22)
InChIKeyBJMRDBACWATFLG-UHFFFAOYSA-N
XLogP2.11
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(methoxymethyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide
CID 47353927
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-4-methylsulfinylbenzamide
CID 71888425
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-4-[(R)-methylsulfinyl]benzamide
CID 97009313
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-2-(2-methylphenyl)acetamide
CID 87023045
1-(4-methoxyphenyl)-2,5-dimethyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]pyrrole-3-carboxamide
CID 166191414
(2S)-2-amino-3,3-dimethyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]butanamide
CID 119848280
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 87023039
2-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 66380424
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 71888414
2-(aminomethyl)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119848605
1-amino-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119848271
4-(ethylsulfamoyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]benzamide
CID 87023016

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(methoxymethyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide (CID 48595046) is 2-(methoxymethyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(methoxymethyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(methoxymethyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide is COCc1nc(C(=O)NCc2ccc(-n3ccnc3C)nc2)cs1.
What is the InChIKey of 2-(methoxymethyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is BJMRDBACWATFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-11-17-5-6-21(11)14-4-3-12(7-18-14)8-19-16(22)13-10-24-15(20-13)9-23-2/h3-7,10H,8-9H2,1-2H3,(H,19,22).
What are the key properties of 2-(methoxymethyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide?
2-(methoxymethyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 48595046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).