N-(cyclohexylmethyl)-4-ethylthiadiazole-5-carboxamide

C12H19N3OS — CID 138996222

IUPACN-(cyclohexylmethyl)-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCC1CCCCC1
InChIInChI=1S/C12H19N3OS/c1-2-10-11(17-15-14-10)12(16)13-8-9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H,13,16)
InChIKeyIJPFEUWLYJNCMP-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.41
Rot. Bonds4

About N-(cyclohexylmethyl)-4-ethylthiadiazole-5-carboxamide

N-(cyclohexylmethyl)-4-ethylthiadiazole-5-carboxamide (PubChem CID 138996222) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-4-ethylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-4-ethylthiadiazole-5-carboxamide
PubChem CID138996222
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC NameN-(cyclohexylmethyl)-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCC1CCCCC1
InChIInChI=1S/C12H19N3OS/c1-2-10-11(17-15-14-10)12(16)13-8-9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H,13,16)
InChIKeyIJPFEUWLYJNCMP-UHFFFAOYSA-N
XLogP2.41
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-4-ethylthiadiazole-5-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-4-ethylthiadiazole-5-carboxamide (CID 138996222) is N-(cyclohexylmethyl)-4-ethylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-4-ethylthiadiazole-5-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-4-ethylthiadiazole-5-carboxamide is CCc1nnsc1C(=O)NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-4-ethylthiadiazole-5-carboxamide?
The InChIKey is IJPFEUWLYJNCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-2-10-11(17-15-14-10)12(16)13-8-9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H,13,16).
What are the key properties of N-(cyclohexylmethyl)-4-ethylthiadiazole-5-carboxamide?
N-(cyclohexylmethyl)-4-ethylthiadiazole-5-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-4-ethylthiadiazole-5-carboxamide is sourced from PubChem (CID 138996222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).