N-cycloheptyl-4-methylthiadiazole-5-carboxamide

C11H17N3OS — CID 4825736

IUPACN-cycloheptyl-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NC1CCCCCC1
InChIInChI=1S/C11H17N3OS/c1-8-10(16-14-13-8)11(15)12-9-6-4-2-3-5-7-9/h9H,2-7H2,1H3,(H,12,15)
InChIKeyWWDBTNPQCDGBBO-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.30
Rot. Bonds2

About N-cycloheptyl-4-methylthiadiazole-5-carboxamide

N-cycloheptyl-4-methylthiadiazole-5-carboxamide (PubChem CID 4825736) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is N-cycloheptyl-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-4-methylthiadiazole-5-carboxamide
PubChem CID4825736
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC NameN-cycloheptyl-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NC1CCCCCC1
InChIInChI=1S/C11H17N3OS/c1-8-10(16-14-13-8)11(15)12-9-6-4-2-3-5-7-9/h9H,2-7H2,1H3,(H,12,15)
InChIKeyWWDBTNPQCDGBBO-UHFFFAOYSA-N
XLogP2.30
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-cycloheptyl-4-methylthiadiazole-5-carboxamide (CID 4825736) is N-cycloheptyl-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-cycloheptyl-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-cycloheptyl-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-4-methylthiadiazole-5-carboxamide?
The InChIKey is WWDBTNPQCDGBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-8-10(16-14-13-8)11(15)12-9-6-4-2-3-5-7-9/h9H,2-7H2,1H3,(H,12,15).
What are the key properties of N-cycloheptyl-4-methylthiadiazole-5-carboxamide?
N-cycloheptyl-4-methylthiadiazole-5-carboxamide has a molecular weight of 239.34 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 4825736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).