N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide

C12H19N3OS — CID 847063

IUPACN-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
SMILESCC(C)c1nnc(NC(=O)C2CCCCC2)s1
InChIInChI=1S/C12H19N3OS/c1-8(2)11-14-15-12(17-11)13-10(16)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H,13,15,16)
InChIKeyOCNINTJDBAVJCD-UHFFFAOYSA-N
MW253.37 g/mol
LogP3.18
Rot. Bonds3

About N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide

N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide (PubChem CID 847063) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
PubChem CID847063
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC NameN-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
SMILESCC(C)c1nnc(NC(=O)C2CCCCC2)s1
InChIInChI=1S/C12H19N3OS/c1-8(2)11-14-15-12(17-11)13-10(16)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H,13,15,16)
InChIKeyOCNINTJDBAVJCD-UHFFFAOYSA-N
XLogP3.18
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide?
The IUPAC name of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide (CID 847063) is N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide is CC(C)c1nnc(NC(=O)C2CCCCC2)s1.
What is the InChIKey of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide?
The InChIKey is OCNINTJDBAVJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-8(2)11-14-15-12(17-11)13-10(16)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H,13,15,16).
What are the key properties of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide?
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide has a molecular weight of 253.37 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide is sourced from PubChem (CID 847063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).