N-octadecylthiadiazole-4-carboxamide

C21H39N3OS — CID 174674510

IUPACN-octadecylthiadiazole-4-carboxamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)c1csnn1
InChIInChI=1S/C21H39N3OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-21(25)20-19-26-24-23-20/h19H,2-18H2,1H3,(H,22,25)
InChIKeyHMTMQCUBGABALA-UHFFFAOYSA-N
MW381.63 g/mol
LogP6.53
Rot. Bonds18

About N-octadecylthiadiazole-4-carboxamide

N-octadecylthiadiazole-4-carboxamide (PubChem CID 174674510) has the molecular formula C21H39N3OS and a molecular weight of 381.63 g/mol. Its IUPAC name is N-octadecylthiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-octadecylthiadiazole-4-carboxamide
PubChem CID174674510
Molecular FormulaC21H39N3OS
Molecular Weight381.63 g/mol
Exact Mass381.28
IUPAC NameN-octadecylthiadiazole-4-carboxamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)c1csnn1
InChIInChI=1S/C21H39N3OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-21(25)20-19-26-24-23-20/h19H,2-18H2,1H3,(H,22,25)
InChIKeyHMTMQCUBGABALA-UHFFFAOYSA-N
XLogP6.53
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.63
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-octadecylthiadiazole-4-carboxamide?
The IUPAC name of N-octadecylthiadiazole-4-carboxamide (CID 174674510) is N-octadecylthiadiazole-4-carboxamide.
What is the SMILES notation for N-octadecylthiadiazole-4-carboxamide?
The canonical SMILES for N-octadecylthiadiazole-4-carboxamide is CCCCCCCCCCCCCCCCCCNC(=O)c1csnn1.
What is the InChIKey of N-octadecylthiadiazole-4-carboxamide?
The InChIKey is HMTMQCUBGABALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39N3OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-21(25)20-19-26-24-23-20/h19H,2-18H2,1H3,(H,22,25).
What are the key properties of N-octadecylthiadiazole-4-carboxamide?
N-octadecylthiadiazole-4-carboxamide has a molecular weight of 381.63 g/mol, XLogP of 6.53, 18 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-octadecylthiadiazole-4-carboxamide is sourced from PubChem (CID 174674510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).