6-amino-2-methyl-N-(thiadiazol-5-yl)heptanamide

C10H18N4OS — CID 114912212

IUPAC6-amino-2-methyl-N-(thiadiazol-5-yl)heptanamide
SMILESCC(N)CCCC(C)C(=O)Nc1cnns1
InChIInChI=1S/C10H18N4OS/c1-7(4-3-5-8(2)11)10(15)13-9-6-12-14-16-9/h6-8H,3-5,11H2,1-2H3,(H,13,15)
InChIKeyLMHFXZVJQSWJLK-UHFFFAOYSA-N
MW242.35 g/mol
LogP1.63
Rot. Bonds6

About 6-amino-2-methyl-N-(thiadiazol-5-yl)heptanamide

6-amino-2-methyl-N-(thiadiazol-5-yl)heptanamide (PubChem CID 114912212) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is 6-amino-2-methyl-N-(thiadiazol-5-yl)heptanamide.

Molecular Properties

Compound Name6-amino-2-methyl-N-(thiadiazol-5-yl)heptanamide
PubChem CID114912212
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name6-amino-2-methyl-N-(thiadiazol-5-yl)heptanamide
SMILESCC(N)CCCC(C)C(=O)Nc1cnns1
InChIInChI=1S/C10H18N4OS/c1-7(4-3-5-8(2)11)10(15)13-9-6-12-14-16-9/h6-8H,3-5,11H2,1-2H3,(H,13,15)
InChIKeyLMHFXZVJQSWJLK-UHFFFAOYSA-N
XLogP1.63
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-methyl-N-(thiadiazol-5-yl)heptanamide?
The IUPAC name of 6-amino-2-methyl-N-(thiadiazol-5-yl)heptanamide (CID 114912212) is 6-amino-2-methyl-N-(thiadiazol-5-yl)heptanamide.
What is the SMILES notation for 6-amino-2-methyl-N-(thiadiazol-5-yl)heptanamide?
The canonical SMILES for 6-amino-2-methyl-N-(thiadiazol-5-yl)heptanamide is CC(N)CCCC(C)C(=O)Nc1cnns1.
What is the InChIKey of 6-amino-2-methyl-N-(thiadiazol-5-yl)heptanamide?
The InChIKey is LMHFXZVJQSWJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-7(4-3-5-8(2)11)10(15)13-9-6-12-14-16-9/h6-8H,3-5,11H2,1-2H3,(H,13,15).
What are the key properties of 6-amino-2-methyl-N-(thiadiazol-5-yl)heptanamide?
6-amino-2-methyl-N-(thiadiazol-5-yl)heptanamide has a molecular weight of 242.35 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-methyl-N-(thiadiazol-5-yl)heptanamide is sourced from PubChem (CID 114912212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).