2,4-dimethyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-1,3-thiazole-5-carboxamide

C14H14N4O2S — CID 75477078

IUPAC2,4-dimethyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCc2ccc3[nH]c(=O)[nH]c3c2)s1
InChIInChI=1S/C14H14N4O2S/c1-7-12(21-8(2)16-7)13(19)15-6-9-3-4-10-11(5-9)18-14(20)17-10/h3-5H,6H2,1-2H3,(H,15,19)(H2,17,18,20)
InChIKeyGUUWVGXTBIFFQN-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.86
Rot. Bonds3

About 2,4-dimethyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-1,3-thiazole-5-carboxamide

2,4-dimethyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 75477078) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is 2,4-dimethyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID75477078
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC Name2,4-dimethyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCc2ccc3[nH]c(=O)[nH]c3c2)s1
InChIInChI=1S/C14H14N4O2S/c1-7-12(21-8(2)16-7)13(19)15-6-9-3-4-10-11(5-9)18-14(20)17-10/h3-5H,6H2,1-2H3,(H,15,19)(H2,17,18,20)
InChIKeyGUUWVGXTBIFFQN-UHFFFAOYSA-N
XLogP1.86
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-1,3-thiazole-5-carboxamide (CID 75477078) is 2,4-dimethyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)NCc2ccc3[nH]c(=O)[nH]c3c2)s1.
What is the InChIKey of 2,4-dimethyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is GUUWVGXTBIFFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-7-12(21-8(2)16-7)13(19)15-6-9-3-4-10-11(5-9)18-14(20)17-10/h3-5H,6H2,1-2H3,(H,15,19)(H2,17,18,20).
What are the key properties of 2,4-dimethyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-1,3-thiazole-5-carboxamide?
2,4-dimethyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 302.36 g/mol, XLogP of 1.86, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 75477078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).