N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-(methoxymethyl)-1,3-thiazole-5-carboxamide

C17H18N4O2S — CID 166215738

IUPACN-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-(methoxymethyl)-1,3-thiazole-5-carboxamide
SMILESCOCc1ncc(C(=O)Nc2ccc(-n3cnc(C)c3C)cc2)s1
InChIInChI=1S/C17H18N4O2S/c1-11-12(2)21(10-19-11)14-6-4-13(5-7-14)20-17(22)15-8-18-16(24-15)9-23-3/h4-8,10H,9H2,1-3H3,(H,20,22)
InChIKeyHMRKQJWZYSEPIA-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.34
Rot. Bonds5

About N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-(methoxymethyl)-1,3-thiazole-5-carboxamide

N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-(methoxymethyl)-1,3-thiazole-5-carboxamide (PubChem CID 166215738) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-(methoxymethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-(methoxymethyl)-1,3-thiazole-5-carboxamide
PubChem CID166215738
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC NameN-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-(methoxymethyl)-1,3-thiazole-5-carboxamide
SMILESCOCc1ncc(C(=O)Nc2ccc(-n3cnc(C)c3C)cc2)s1
InChIInChI=1S/C17H18N4O2S/c1-11-12(2)21(10-19-11)14-6-4-13(5-7-14)20-17(22)15-8-18-16(24-15)9-23-3/h4-8,10H,9H2,1-3H3,(H,20,22)
InChIKeyHMRKQJWZYSEPIA-UHFFFAOYSA-N
XLogP3.34
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-(2-methoxyethoxy)propanamide
CID 166215727
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-6-methylpyridine-3-carboxamide
CID 166215479
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-5-ethoxypyrazine-2-carboxamide
CID 166215462
2-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]acetamide
CID 167866582
3-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methylbutanamide
CID 166299122
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methoxy-6-methylpyridine-2-carboxamide
CID 166340671
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3,5-difluoro-4-(hydroxymethyl)benzamide
CID 166327111
methyl N-[4-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]phenyl]carbamate
CID 48578248
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methylbutanamide
CID 166215592
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-3-carboxamide
CID 166215679
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-methoxy-3-methylbutanamide
CID 166215873
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methylpyridine-2-carboxamide
CID 166215509

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-(methoxymethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-(methoxymethyl)-1,3-thiazole-5-carboxamide (CID 166215738) is N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-(methoxymethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-(methoxymethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-(methoxymethyl)-1,3-thiazole-5-carboxamide is COCc1ncc(C(=O)Nc2ccc(-n3cnc(C)c3C)cc2)s1.
What is the InChIKey of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-(methoxymethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is HMRKQJWZYSEPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-11-12(2)21(10-19-11)14-6-4-13(5-7-14)20-17(22)15-8-18-16(24-15)9-23-3/h4-8,10H,9H2,1-3H3,(H,20,22).
What are the key properties of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-(methoxymethyl)-1,3-thiazole-5-carboxamide?
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-(methoxymethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-(methoxymethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 166215738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).