N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-4,5,6,7-tetrahydrobenzimidazole-4-carboxamide

C13H17N5OS — CID 166277332

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-4,5,6,7-tetrahydrobenzimidazole-4-carboxamide
SMILESCCc1nnc(NC(=O)C2CCCc3c2ncn3C)s1
InChIInChI=1S/C13H17N5OS/c1-3-10-16-17-13(20-10)15-12(19)8-5-4-6-9-11(8)14-7-18(9)2/h7-8H,3-6H2,1-2H3,(H,15,17,19)
InChIKeyRFRYBLFUBHTSQI-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.89
Rot. Bonds3

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-4,5,6,7-tetrahydrobenzimidazole-4-carboxamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-4,5,6,7-tetrahydrobenzimidazole-4-carboxamide (PubChem CID 166277332) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-4,5,6,7-tetrahydrobenzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-4,5,6,7-tetrahydrobenzimidazole-4-carboxamide
PubChem CID166277332
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-4,5,6,7-tetrahydrobenzimidazole-4-carboxamide
SMILESCCc1nnc(NC(=O)C2CCCc3c2ncn3C)s1
InChIInChI=1S/C13H17N5OS/c1-3-10-16-17-13(20-10)15-12(19)8-5-4-6-9-11(8)14-7-18(9)2/h7-8H,3-6H2,1-2H3,(H,15,17,19)
InChIKeyRFRYBLFUBHTSQI-UHFFFAOYSA-N
XLogP1.89
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-4,5,6,7-tetrahydrobenzimidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-(1S,2S)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 753029
1-N-cyclohexyl-4-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide
CID 656355
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-piperidin-1-ylacetamide
CID 787680
5-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 107641478
4-tert-butyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide
CID 841730
(3R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 107641885
N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]cyclohexanecarboxamide
CID 50875779
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-hydroxycyclohexyl)urea
CID 110932980
6-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 4531585
ethyl 2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylate
CID 43926612
N-(5-ethyl-1,3,4-thiadiazol-2-yl)spiro[1,3-dithiolane-2,8'-bicyclo[3.2.1]octane]-3'-carboxamide
CID 17448062
1-(1-acetylpiperidin-4-yl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea
CID 47196092

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-4,5,6,7-tetrahydrobenzimidazole-4-carboxamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-4,5,6,7-tetrahydrobenzimidazole-4-carboxamide (CID 166277332) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-4,5,6,7-tetrahydrobenzimidazole-4-carboxamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-4,5,6,7-tetrahydrobenzimidazole-4-carboxamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-4,5,6,7-tetrahydrobenzimidazole-4-carboxamide is CCc1nnc(NC(=O)C2CCCc3c2ncn3C)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-4,5,6,7-tetrahydrobenzimidazole-4-carboxamide?
The InChIKey is RFRYBLFUBHTSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c1-3-10-16-17-13(20-10)15-12(19)8-5-4-6-9-11(8)14-7-18(9)2/h7-8H,3-6H2,1-2H3,(H,15,17,19).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-4,5,6,7-tetrahydrobenzimidazole-4-carboxamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-4,5,6,7-tetrahydrobenzimidazole-4-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-4,5,6,7-tetrahydrobenzimidazole-4-carboxamide is sourced from PubChem (CID 166277332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).