2,5-dimethyl-N-(1,3-thiazol-2-yl)-1H-imidazole-4-carboxamide

C9H10N4OS — CID 20683999

IUPAC2,5-dimethyl-N-(1,3-thiazol-2-yl)-1H-imidazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2nccs2)c(C)[nH]1
InChIInChI=1S/C9H10N4OS/c1-5-7(12-6(2)11-5)8(14)13-9-10-3-4-15-9/h3-4H,1-2H3,(H,11,12)(H,10,13,14)
InChIKeyTVXLAIMCGGIOJF-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.74
Rot. Bonds2

About 2,5-dimethyl-N-(1,3-thiazol-2-yl)-1H-imidazole-4-carboxamide

2,5-dimethyl-N-(1,3-thiazol-2-yl)-1H-imidazole-4-carboxamide (PubChem CID 20683999) has the molecular formula C9H10N4OS and a molecular weight of 222.27 g/mol. Its IUPAC name is 2,5-dimethyl-N-(1,3-thiazol-2-yl)-1H-imidazole-4-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(1,3-thiazol-2-yl)-1H-imidazole-4-carboxamide
PubChem CID20683999
Molecular FormulaC9H10N4OS
Molecular Weight222.27 g/mol
Exact Mass222.06
IUPAC Name2,5-dimethyl-N-(1,3-thiazol-2-yl)-1H-imidazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2nccs2)c(C)[nH]1
InChIInChI=1S/C9H10N4OS/c1-5-7(12-6(2)11-5)8(14)13-9-10-3-4-15-9/h3-4H,1-2H3,(H,11,12)(H,10,13,14)
InChIKeyTVXLAIMCGGIOJF-UHFFFAOYSA-N
XLogP1.74
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(1,3-thiazol-2-yl)-1H-imidazole-4-carboxamide?
The IUPAC name of 2,5-dimethyl-N-(1,3-thiazol-2-yl)-1H-imidazole-4-carboxamide (CID 20683999) is 2,5-dimethyl-N-(1,3-thiazol-2-yl)-1H-imidazole-4-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-(1,3-thiazol-2-yl)-1H-imidazole-4-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-(1,3-thiazol-2-yl)-1H-imidazole-4-carboxamide is Cc1nc(C(=O)Nc2nccs2)c(C)[nH]1.
What is the InChIKey of 2,5-dimethyl-N-(1,3-thiazol-2-yl)-1H-imidazole-4-carboxamide?
The InChIKey is TVXLAIMCGGIOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4OS/c1-5-7(12-6(2)11-5)8(14)13-9-10-3-4-15-9/h3-4H,1-2H3,(H,11,12)(H,10,13,14).
What are the key properties of 2,5-dimethyl-N-(1,3-thiazol-2-yl)-1H-imidazole-4-carboxamide?
2,5-dimethyl-N-(1,3-thiazol-2-yl)-1H-imidazole-4-carboxamide has a molecular weight of 222.27 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(1,3-thiazol-2-yl)-1H-imidazole-4-carboxamide is sourced from PubChem (CID 20683999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).