N-[1-(2,6-dimethyl-4-pyridinyl)-4-methyl-1,3-thiazol-1-ium-2-yl]imidazole-1-carboxamide

C15H16N5OS+ — CID 172739310

IUPACN-[1-(2,6-dimethyl-4-pyridinyl)-4-methyl-1,3-thiazol-1-ium-2-yl]imidazole-1-carboxamide
SMILESCc1cc(-[s+]2cc(C)nc2NC(=O)n2ccnc2)cc(C)n1
InChIInChI=1S/C15H15N5OS/c1-10-6-13(7-11(2)17-10)22-8-12(3)18-14(22)19-15(21)20-5-4-16-9-20/h4-9H,1-3H3/p+1
InChIKeyIWIFQQOHJWWBOW-UHFFFAOYSA-O
MW314.39 g/mol
LogP3.42
Rot. Bonds2

About N-[1-(2,6-dimethyl-4-pyridinyl)-4-methyl-1,3-thiazol-1-ium-2-yl]imidazole-1-carboxamide

N-[1-(2,6-dimethyl-4-pyridinyl)-4-methyl-1,3-thiazol-1-ium-2-yl]imidazole-1-carboxamide (PubChem CID 172739310) has the molecular formula C15H16N5OS+ and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[1-(2,6-dimethyl-4-pyridinyl)-4-methyl-1,3-thiazol-1-ium-2-yl]imidazole-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2,6-dimethyl-4-pyridinyl)-4-methyl-1,3-thiazol-1-ium-2-yl]imidazole-1-carboxamide
PubChem CID172739310
Molecular FormulaC15H16N5OS+
Molecular Weight314.39 g/mol
Exact Mass314.11
IUPAC NameN-[1-(2,6-dimethyl-4-pyridinyl)-4-methyl-1,3-thiazol-1-ium-2-yl]imidazole-1-carboxamide
SMILESCc1cc(-[s+]2cc(C)nc2NC(=O)n2ccnc2)cc(C)n1
InChIInChI=1S/C15H15N5OS/c1-10-6-13(7-11(2)17-10)22-8-12(3)18-14(22)19-15(21)20-5-4-16-9-20/h4-9H,1-3H3/p+1
InChIKeyIWIFQQOHJWWBOW-UHFFFAOYSA-O
XLogP3.42
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[1-(2,6-dimethyl-4-pyridinyl)-4-methyl-1,3-thiazol-1-ium-2-yl]imidazole-1-carboxamide with MolForge

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Related Compounds

N-(5-methyl-3-pyridinyl)imidazole-1-carboxamide
CID 107586878
N-[3-(imidazole-1-carbonylamino)-4-methylphenyl]imidazole-1-carboxamide
CID 690741
N-(3-bromo-4-methylphenyl)imidazole-1-carboxamide
CID 81270282
N-(3,5-dichlorophenyl)imidazole-1-carboxamide
CID 81257838
N-(4-chloro-2-methylphenyl)imidazole-1-carboxamide
CID 79020132
N-(1,3-dimethylpyrazol-4-yl)imidazole-1-carboxamide
CID 102807490
N-(2,4,6-trichlorophenyl)imidazole-1-carboxamide
CID 81257477
N-(5-bromo-1-methylpyrazol-3-yl)imidazole-1-carboxamide
CID 58213393
N-(3-fluoro-4-methoxyphenyl)imidazole-1-carboxamide
CID 81257589
N-(2-methoxy-4-methylphenyl)imidazole-1-carboxamide
CID 81257037
N-(3-acetylphenyl)imidazole-1-carboxamide
CID 81258078
N-[4-(dimethylamino)phenyl]imidazole-1-carboxamide
CID 81257453

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-dimethyl-4-pyridinyl)-4-methyl-1,3-thiazol-1-ium-2-yl]imidazole-1-carboxamide?
The IUPAC name of N-[1-(2,6-dimethyl-4-pyridinyl)-4-methyl-1,3-thiazol-1-ium-2-yl]imidazole-1-carboxamide (CID 172739310) is N-[1-(2,6-dimethyl-4-pyridinyl)-4-methyl-1,3-thiazol-1-ium-2-yl]imidazole-1-carboxamide.
What is the SMILES notation for N-[1-(2,6-dimethyl-4-pyridinyl)-4-methyl-1,3-thiazol-1-ium-2-yl]imidazole-1-carboxamide?
The canonical SMILES for N-[1-(2,6-dimethyl-4-pyridinyl)-4-methyl-1,3-thiazol-1-ium-2-yl]imidazole-1-carboxamide is Cc1cc(-[s+]2cc(C)nc2NC(=O)n2ccnc2)cc(C)n1.
What is the InChIKey of N-[1-(2,6-dimethyl-4-pyridinyl)-4-methyl-1,3-thiazol-1-ium-2-yl]imidazole-1-carboxamide?
The InChIKey is IWIFQQOHJWWBOW-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H15N5OS/c1-10-6-13(7-11(2)17-10)22-8-12(3)18-14(22)19-15(21)20-5-4-16-9-20/h4-9H,1-3H3/p+1.
What are the key properties of N-[1-(2,6-dimethyl-4-pyridinyl)-4-methyl-1,3-thiazol-1-ium-2-yl]imidazole-1-carboxamide?
N-[1-(2,6-dimethyl-4-pyridinyl)-4-methyl-1,3-thiazol-1-ium-2-yl]imidazole-1-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-dimethyl-4-pyridinyl)-4-methyl-1,3-thiazol-1-ium-2-yl]imidazole-1-carboxamide is sourced from PubChem (CID 172739310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).