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

C14H20N4OS — CID 65205161

IUPACN-(1-cyanocycloheptyl)-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NC1(C#N)CCCCCC1
InChIInChI=1S/C14H20N4OS/c1-2-7-11-12(20-18-17-11)13(19)16-14(10-15)8-5-3-4-6-9-14/h2-9H2,1H3,(H,16,19)
InChIKeyIDHCNYLRJPMACU-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.84
Rot. Bonds4

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

N-(1-cyanocycloheptyl)-4-propylthiadiazole-5-carboxamide (PubChem CID 65205161) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is N-(1-cyanocycloheptyl)-4-propylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-cyanocycloheptyl)-4-propylthiadiazole-5-carboxamide
PubChem CID65205161
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC NameN-(1-cyanocycloheptyl)-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NC1(C#N)CCCCCC1
InChIInChI=1S/C14H20N4OS/c1-2-7-11-12(20-18-17-11)13(19)16-14(10-15)8-5-3-4-6-9-14/h2-9H2,1H3,(H,16,19)
InChIKeyIDHCNYLRJPMACU-UHFFFAOYSA-N
XLogP2.84
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocycloheptyl)-4-propylthiadiazole-5-carboxamide?
The IUPAC name of N-(1-cyanocycloheptyl)-4-propylthiadiazole-5-carboxamide (CID 65205161) is N-(1-cyanocycloheptyl)-4-propylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(1-cyanocycloheptyl)-4-propylthiadiazole-5-carboxamide?
The canonical SMILES for N-(1-cyanocycloheptyl)-4-propylthiadiazole-5-carboxamide is CCCc1nnsc1C(=O)NC1(C#N)CCCCCC1.
What is the InChIKey of N-(1-cyanocycloheptyl)-4-propylthiadiazole-5-carboxamide?
The InChIKey is IDHCNYLRJPMACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-2-7-11-12(20-18-17-11)13(19)16-14(10-15)8-5-3-4-6-9-14/h2-9H2,1H3,(H,16,19).
What are the key properties of N-(1-cyanocycloheptyl)-4-propylthiadiazole-5-carboxamide?
N-(1-cyanocycloheptyl)-4-propylthiadiazole-5-carboxamide has a molecular weight of 292.41 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocycloheptyl)-4-propylthiadiazole-5-carboxamide is sourced from PubChem (CID 65205161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).