N-(cycloheptylmethyl)-4-propylthiadiazole-5-carboxamide

C14H23N3OS — CID 54212294

IUPACN-(cycloheptylmethyl)-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NCC1CCCCCC1
InChIInChI=1S/C14H23N3OS/c1-2-7-12-13(19-17-16-12)14(18)15-10-11-8-5-3-4-6-9-11/h11H,2-10H2,1H3,(H,15,18)
InChIKeyPWTLWGHGNWGEPW-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.19
Rot. Bonds5

About N-(cycloheptylmethyl)-4-propylthiadiazole-5-carboxamide

N-(cycloheptylmethyl)-4-propylthiadiazole-5-carboxamide (PubChem CID 54212294) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is N-(cycloheptylmethyl)-4-propylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(cycloheptylmethyl)-4-propylthiadiazole-5-carboxamide
PubChem CID54212294
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC NameN-(cycloheptylmethyl)-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NCC1CCCCCC1
InChIInChI=1S/C14H23N3OS/c1-2-7-12-13(19-17-16-12)14(18)15-10-11-8-5-3-4-6-9-11/h11H,2-10H2,1H3,(H,15,18)
InChIKeyPWTLWGHGNWGEPW-UHFFFAOYSA-N
XLogP3.19
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cycloheptylmethyl)-4-propylthiadiazole-5-carboxamide?
The IUPAC name of N-(cycloheptylmethyl)-4-propylthiadiazole-5-carboxamide (CID 54212294) is N-(cycloheptylmethyl)-4-propylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(cycloheptylmethyl)-4-propylthiadiazole-5-carboxamide?
The canonical SMILES for N-(cycloheptylmethyl)-4-propylthiadiazole-5-carboxamide is CCCc1nnsc1C(=O)NCC1CCCCCC1.
What is the InChIKey of N-(cycloheptylmethyl)-4-propylthiadiazole-5-carboxamide?
The InChIKey is PWTLWGHGNWGEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-2-7-12-13(19-17-16-12)14(18)15-10-11-8-5-3-4-6-9-11/h11H,2-10H2,1H3,(H,15,18).
What are the key properties of N-(cycloheptylmethyl)-4-propylthiadiazole-5-carboxamide?
N-(cycloheptylmethyl)-4-propylthiadiazole-5-carboxamide has a molecular weight of 281.42 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cycloheptylmethyl)-4-propylthiadiazole-5-carboxamide is sourced from PubChem (CID 54212294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).