N-cycloheptyl-4-ethylthiadiazole-5-carboxamide

C12H19N3OS — CID 9192469

IUPACN-cycloheptyl-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NC1CCCCCC1
InChIInChI=1S/C12H19N3OS/c1-2-10-11(17-15-14-10)12(16)13-9-7-5-3-4-6-8-9/h9H,2-8H2,1H3,(H,13,16)
InChIKeyFAWPTLKIAFAUCY-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.55
Rot. Bonds3

About N-cycloheptyl-4-ethylthiadiazole-5-carboxamide

N-cycloheptyl-4-ethylthiadiazole-5-carboxamide (PubChem CID 9192469) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is N-cycloheptyl-4-ethylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-4-ethylthiadiazole-5-carboxamide
PubChem CID9192469
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC NameN-cycloheptyl-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NC1CCCCCC1
InChIInChI=1S/C12H19N3OS/c1-2-10-11(17-15-14-10)12(16)13-9-7-5-3-4-6-8-9/h9H,2-8H2,1H3,(H,13,16)
InChIKeyFAWPTLKIAFAUCY-UHFFFAOYSA-N
XLogP2.55
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4-ethylthiadiazole-5-carboxamide?
The IUPAC name of N-cycloheptyl-4-ethylthiadiazole-5-carboxamide (CID 9192469) is N-cycloheptyl-4-ethylthiadiazole-5-carboxamide.
What is the SMILES notation for N-cycloheptyl-4-ethylthiadiazole-5-carboxamide?
The canonical SMILES for N-cycloheptyl-4-ethylthiadiazole-5-carboxamide is CCc1nnsc1C(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-4-ethylthiadiazole-5-carboxamide?
The InChIKey is FAWPTLKIAFAUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-2-10-11(17-15-14-10)12(16)13-9-7-5-3-4-6-8-9/h9H,2-8H2,1H3,(H,13,16).
What are the key properties of N-cycloheptyl-4-ethylthiadiazole-5-carboxamide?
N-cycloheptyl-4-ethylthiadiazole-5-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-ethylthiadiazole-5-carboxamide is sourced from PubChem (CID 9192469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).