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

C11H18N4OS — CID 80624519

IUPAC5-(methylamino)-N-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)NC2C(C)(C)C2(C)C)s1
InChIInChI=1S/C11H18N4OS/c1-10(2)8(11(10,3)4)13-6(16)7-14-15-9(12-5)17-7/h8H,1-5H3,(H,12,15)(H,13,16)
InChIKeyNGFFRKWEAHLRDP-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.74
Rot. Bonds3

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

5-(methylamino)-N-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80624519) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 5-(methylamino)-N-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(methylamino)-N-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80624519
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name5-(methylamino)-N-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)NC2C(C)(C)C2(C)C)s1
InChIInChI=1S/C11H18N4OS/c1-10(2)8(11(10,3)4)13-6(16)7-14-15-9(12-5)17-7/h8H,1-5H3,(H,12,15)(H,13,16)
InChIKeyNGFFRKWEAHLRDP-UHFFFAOYSA-N
XLogP1.74
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-N-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-(methylamino)-N-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-thiadiazole-2-carboxamide (CID 80624519) is 5-(methylamino)-N-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-(methylamino)-N-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-(methylamino)-N-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-thiadiazole-2-carboxamide is CNc1nnc(C(=O)NC2C(C)(C)C2(C)C)s1.
What is the InChIKey of 5-(methylamino)-N-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is NGFFRKWEAHLRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-10(2)8(11(10,3)4)13-6(16)7-14-15-9(12-5)17-7/h8H,1-5H3,(H,12,15)(H,13,16).
What are the key properties of 5-(methylamino)-N-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-thiadiazole-2-carboxamide?
5-(methylamino)-N-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 254.36 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-N-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80624519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).