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

C8H10N6OS — CID 80623437

IUPACN-(1H-imidazol-5-ylmethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)NCc2cnc[nH]2)s1
InChIInChI=1S/C8H10N6OS/c1-9-8-14-13-7(16-8)6(15)11-3-5-2-10-4-12-5/h2,4H,3H2,1H3,(H,9,14)(H,10,12)(H,11,15)
InChIKeyLICUAQVJEOCGDZ-UHFFFAOYSA-N
MW238.28 g/mol
LogP0.23
Rot. Bonds4

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

N-(1H-imidazol-5-ylmethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80623437) has the molecular formula C8H10N6OS and a molecular weight of 238.28 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80623437
Molecular FormulaC8H10N6OS
Molecular Weight238.28 g/mol
Exact Mass238.06
IUPAC NameN-(1H-imidazol-5-ylmethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)NCc2cnc[nH]2)s1
InChIInChI=1S/C8H10N6OS/c1-9-8-14-13-7(16-8)6(15)11-3-5-2-10-4-12-5/h2,4H,3H2,1H3,(H,9,14)(H,10,12)(H,11,15)
InChIKeyLICUAQVJEOCGDZ-UHFFFAOYSA-N
XLogP0.23
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide (CID 80623437) is N-(1H-imidazol-5-ylmethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide is CNc1nnc(C(=O)NCc2cnc[nH]2)s1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is LICUAQVJEOCGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6OS/c1-9-8-14-13-7(16-8)6(15)11-3-5-2-10-4-12-5/h2,4H,3H2,1H3,(H,9,14)(H,10,12)(H,11,15).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
N-(1H-imidazol-5-ylmethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 238.28 g/mol, XLogP of 0.23, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80623437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).