4-tert-butyl-N-(1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide

C13H21N3OS — CID 29369750

IUPAC4-tert-butyl-N-(1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide
SMILESCC(C)(C)C1CCC(C(=O)Nc2nncs2)CC1
InChIInChI=1S/C13H21N3OS/c1-13(2,3)10-6-4-9(5-7-10)11(17)15-12-16-14-8-18-12/h8-10H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyFLDRWJNSISFLGF-UHFFFAOYSA-N
MW267.40 g/mol
LogP3.33
Rot. Bonds2

About 4-tert-butyl-N-(1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide

4-tert-butyl-N-(1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide (PubChem CID 29369750) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 4-tert-butyl-N-(1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-(1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide
PubChem CID29369750
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name4-tert-butyl-N-(1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide
SMILESCC(C)(C)C1CCC(C(=O)Nc2nncs2)CC1
InChIInChI=1S/C13H21N3OS/c1-13(2,3)10-6-4-9(5-7-10)11(17)15-12-16-14-8-18-12/h8-10H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyFLDRWJNSISFLGF-UHFFFAOYSA-N
XLogP3.33
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-tert-butyl-N-(1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide (CID 29369750) is 4-tert-butyl-N-(1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-(1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-tert-butyl-N-(1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide is CC(C)(C)C1CCC(C(=O)Nc2nncs2)CC1.
What is the InChIKey of 4-tert-butyl-N-(1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide?
The InChIKey is FLDRWJNSISFLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-13(2,3)10-6-4-9(5-7-10)11(17)15-12-16-14-8-18-12/h8-10H,4-7H2,1-3H3,(H,15,16,17).
What are the key properties of 4-tert-butyl-N-(1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide?
4-tert-butyl-N-(1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide has a molecular weight of 267.40 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 29369750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).