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

C13H11N5OS — CID 136523432

IUPACN-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccnc(-n2ccnc2)c1)c1cscn1
InChIInChI=1S/C13H11N5OS/c19-13(11-7-20-9-17-11)16-6-10-1-2-15-12(5-10)18-4-3-14-8-18/h1-5,7-9H,6H2,(H,16,19)
InChIKeyBWSBFMACDJZVCA-UHFFFAOYSA-N
MW285.33 g/mol
LogP1.65
Rot. Bonds4

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

N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 136523432) has the molecular formula C13H11N5OS and a molecular weight of 285.33 g/mol. Its IUPAC name is N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID136523432
Molecular FormulaC13H11N5OS
Molecular Weight285.33 g/mol
Exact Mass285.07
IUPAC NameN-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccnc(-n2ccnc2)c1)c1cscn1
InChIInChI=1S/C13H11N5OS/c19-13(11-7-20-9-17-11)16-6-10-1-2-15-12(5-10)18-4-3-14-8-18/h1-5,7-9H,6H2,(H,16,19)
InChIKeyBWSBFMACDJZVCA-UHFFFAOYSA-N
XLogP1.65
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2-imidazol-1-yl-4-pyridinyl)methyl]-3-(1,3-thiazol-4-ylmethyl)urea
CID 134813239
N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 56816401
4-cyclohexyl-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]benzamide
CID 60526309
N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-3,3-diphenylpropanamide
CID 47060911
N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-phenyl-1H-imidazole-5-carboxamide
CID 136526673
N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-4-(methylamino)butanamide;dihydrochloride
CID 119859956
3-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-(2-methylpropyl)-1-propan-2-ylurea
CID 136527613
2-(cyclopropylmethylamino)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]acetamide;dihydrochloride
CID 119859974
2-[(2-chlorophenyl)methoxy]-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]benzamide
CID 60526385
3-(2,5-dioxopyrrolidin-1-yl)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]benzamide
CID 167917933
N-[[2-[(2R)-butan-2-yl]oxy-4-pyridinyl]methyl]-1,3-thiazole-4-carboxamide
CID 97338998
N-[[3-(ethoxymethyl)phenyl]methyl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 47068369

Frequently Asked Questions

What is the IUPAC name of N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide (CID 136523432) is N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide is O=C(NCc1ccnc(-n2ccnc2)c1)c1cscn1.
What is the InChIKey of N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is BWSBFMACDJZVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5OS/c19-13(11-7-20-9-17-11)16-6-10-1-2-15-12(5-10)18-4-3-14-8-18/h1-5,7-9H,6H2,(H,16,19).
What are the key properties of N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide?
N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 285.33 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 136523432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).