N-(1-cyanocyclooctyl)-4-propylthiadiazole-5-carboxamide

C15H22N4OS — CID 65205363

IUPACN-(1-cyanocyclooctyl)-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NC1(C#N)CCCCCCC1
InChIInChI=1S/C15H22N4OS/c1-2-8-12-13(21-19-18-12)14(20)17-15(11-16)9-6-4-3-5-7-10-15/h2-10H2,1H3,(H,17,20)
InChIKeyVCMSFVQVYWNJHH-UHFFFAOYSA-N
MW306.44 g/mol
LogP3.23
Rot. Bonds4

About N-(1-cyanocyclooctyl)-4-propylthiadiazole-5-carboxamide

N-(1-cyanocyclooctyl)-4-propylthiadiazole-5-carboxamide (PubChem CID 65205363) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is N-(1-cyanocyclooctyl)-4-propylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-cyanocyclooctyl)-4-propylthiadiazole-5-carboxamide
PubChem CID65205363
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC NameN-(1-cyanocyclooctyl)-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NC1(C#N)CCCCCCC1
InChIInChI=1S/C15H22N4OS/c1-2-8-12-13(21-19-18-12)14(20)17-15(11-16)9-6-4-3-5-7-10-15/h2-10H2,1H3,(H,17,20)
InChIKeyVCMSFVQVYWNJHH-UHFFFAOYSA-N
XLogP3.23
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclooctyl)-4-propylthiadiazole-5-carboxamide?
The IUPAC name of N-(1-cyanocyclooctyl)-4-propylthiadiazole-5-carboxamide (CID 65205363) is N-(1-cyanocyclooctyl)-4-propylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(1-cyanocyclooctyl)-4-propylthiadiazole-5-carboxamide?
The canonical SMILES for N-(1-cyanocyclooctyl)-4-propylthiadiazole-5-carboxamide is CCCc1nnsc1C(=O)NC1(C#N)CCCCCCC1.
What is the InChIKey of N-(1-cyanocyclooctyl)-4-propylthiadiazole-5-carboxamide?
The InChIKey is VCMSFVQVYWNJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-2-8-12-13(21-19-18-12)14(20)17-15(11-16)9-6-4-3-5-7-10-15/h2-10H2,1H3,(H,17,20).
What are the key properties of N-(1-cyanocyclooctyl)-4-propylthiadiazole-5-carboxamide?
N-(1-cyanocyclooctyl)-4-propylthiadiazole-5-carboxamide has a molecular weight of 306.44 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclooctyl)-4-propylthiadiazole-5-carboxamide is sourced from PubChem (CID 65205363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).