N-methyl-5-(methylamino)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide

C9H13N7OS — CID 80616358

IUPACN-methyl-5-(methylamino)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)N(C)Cc2n[nH]c(C)n2)s1
InChIInChI=1S/C9H13N7OS/c1-5-11-6(13-12-5)4-16(3)8(17)7-14-15-9(10-2)18-7/h4H2,1-3H3,(H,10,15)(H,11,12,13)
InChIKeyRAHZJOGBHOADFH-UHFFFAOYSA-N
MW267.32 g/mol
LogP0.28
Rot. Bonds4

About N-methyl-5-(methylamino)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide

N-methyl-5-(methylamino)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80616358) has the molecular formula C9H13N7OS and a molecular weight of 267.32 g/mol. Its IUPAC name is N-methyl-5-(methylamino)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-(methylamino)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID80616358
Molecular FormulaC9H13N7OS
Molecular Weight267.32 g/mol
Exact Mass267.09
IUPAC NameN-methyl-5-(methylamino)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)N(C)Cc2n[nH]c(C)n2)s1
InChIInChI=1S/C9H13N7OS/c1-5-11-6(13-12-5)4-16(3)8(17)7-14-15-9(10-2)18-7/h4H2,1-3H3,(H,10,15)(H,11,12,13)
InChIKeyRAHZJOGBHOADFH-UHFFFAOYSA-N
XLogP0.28
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(methylamino)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-methyl-5-(methylamino)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide (CID 80616358) is N-methyl-5-(methylamino)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-methyl-5-(methylamino)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-methyl-5-(methylamino)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide is CNc1nnc(C(=O)N(C)Cc2n[nH]c(C)n2)s1.
What is the InChIKey of N-methyl-5-(methylamino)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is RAHZJOGBHOADFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N7OS/c1-5-11-6(13-12-5)4-16(3)8(17)7-14-15-9(10-2)18-7/h4H2,1-3H3,(H,10,15)(H,11,12,13).
What are the key properties of N-methyl-5-(methylamino)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
N-methyl-5-(methylamino)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 267.32 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(methylamino)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80616358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).