N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide

C13H20N6OS — CID 70763750

IUPACN-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide
SMILESCC(C)Cc1cc(C(=O)NCCc2nnc(N)s2)n(C)n1
InChIInChI=1S/C13H20N6OS/c1-8(2)6-9-7-10(19(3)18-9)12(20)15-5-4-11-16-17-13(14)21-11/h7-8H,4-6H2,1-3H3,(H2,14,17)(H,15,20)
InChIKeyRSZPVFZSZIDTBI-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.02
Rot. Bonds6

About N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide

N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide (PubChem CID 70763750) has the molecular formula C13H20N6OS and a molecular weight of 308.41 g/mol. Its IUPAC name is N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide
PubChem CID70763750
Molecular FormulaC13H20N6OS
Molecular Weight308.41 g/mol
Exact Mass308.14
IUPAC NameN-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide
SMILESCC(C)Cc1cc(C(=O)NCCc2nnc(N)s2)n(C)n1
InChIInChI=1S/C13H20N6OS/c1-8(2)6-9-7-10(19(3)18-9)12(20)15-5-4-11-16-17-13(14)21-11/h7-8H,4-6H2,1-3H3,(H2,14,17)(H,15,20)
InChIKeyRSZPVFZSZIDTBI-UHFFFAOYSA-N
XLogP1.02
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide?
The IUPAC name of N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide (CID 70763750) is N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide is CC(C)Cc1cc(C(=O)NCCc2nnc(N)s2)n(C)n1.
What is the InChIKey of N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide?
The InChIKey is RSZPVFZSZIDTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6OS/c1-8(2)6-9-7-10(19(3)18-9)12(20)15-5-4-11-16-17-13(14)21-11/h7-8H,4-6H2,1-3H3,(H2,14,17)(H,15,20).
What are the key properties of N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide?
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide has a molecular weight of 308.41 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide is sourced from PubChem (CID 70763750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).