N-(2-imidazol-1-ylethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide

C9H12N6OS — CID 80617458

IUPACN-(2-imidazol-1-ylethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)NCCn2ccnc2)s1
InChIInChI=1S/C9H12N6OS/c1-10-9-14-13-8(17-9)7(16)12-3-5-15-4-2-11-6-15/h2,4,6H,3,5H2,1H3,(H,10,14)(H,12,16)
InChIKeyGQTVBWFVBOFZTK-UHFFFAOYSA-N
MW252.30 g/mol
LogP0.21
Rot. Bonds5

About N-(2-imidazol-1-ylethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide

N-(2-imidazol-1-ylethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80617458) has the molecular formula C9H12N6OS and a molecular weight of 252.30 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80617458
Molecular FormulaC9H12N6OS
Molecular Weight252.30 g/mol
Exact Mass252.08
IUPAC NameN-(2-imidazol-1-ylethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)NCCn2ccnc2)s1
InChIInChI=1S/C9H12N6OS/c1-10-9-14-13-8(17-9)7(16)12-3-5-15-4-2-11-6-15/h2,4,6H,3,5H2,1H3,(H,10,14)(H,12,16)
InChIKeyGQTVBWFVBOFZTK-UHFFFAOYSA-N
XLogP0.21
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-imidazol-1-ylethyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80617375
2-imidazol-1-ylethylurea
CID 61061185
N-(2-imidazol-1-ylethyl)-2-(methylamino)benzamide
CID 61375960
N-(2-methoxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615073
1-(2-imidazol-1-ylethyl)-3-methylurea
CID 58988197
3,5-difluoro-N-(2-imidazol-1-ylethyl)-4-(methylamino)benzamide
CID 63185767
5-(methylamino)-N-(3-methylbutyl)-1,3,4-thiadiazole-2-carboxamide
CID 80618607
3,5-dibromo-N-(2-imidazol-1-ylethyl)benzamide
CID 103907789
5-chloro-N-(2-imidazol-1-ylethyl)thiophene-2-carboxamide
CID 47143117
5-bromo-N-(2-imidazol-1-ylethyl)-2-(methylamino)pyridine-3-carboxamide
CID 62176435
N-(2-imidazol-1-ylethyl)-3-methyl-4-(methylamino)benzamide
CID 63213649
2-bromo-N-(2-imidazol-1-ylethyl)propanamide
CID 82108600

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(2-imidazol-1-ylethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide (CID 80617458) is N-(2-imidazol-1-ylethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(2-imidazol-1-ylethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide is CNc1nnc(C(=O)NCCn2ccnc2)s1.
What is the InChIKey of N-(2-imidazol-1-ylethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is GQTVBWFVBOFZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6OS/c1-10-9-14-13-8(17-9)7(16)12-3-5-15-4-2-11-6-15/h2,4,6H,3,5H2,1H3,(H,10,14)(H,12,16).
What are the key properties of N-(2-imidazol-1-ylethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
N-(2-imidazol-1-ylethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 252.30 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80617458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).