1-amino-N-(5-butyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide

C13H22N4OS — CID 119265205

IUPAC1-amino-N-(5-butyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide
SMILESCCCCc1nnc(NC(=O)C2(N)CCCCC2)s1
InChIInChI=1S/C13H22N4OS/c1-2-3-7-10-16-17-12(19-10)15-11(18)13(14)8-5-4-6-9-13/h2-9,14H2,1H3,(H,15,17,18)
InChIKeyUISRRNZIDCOLJU-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.48
Rot. Bonds5

About 1-amino-N-(5-butyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide

1-amino-N-(5-butyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide (PubChem CID 119265205) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-amino-N-(5-butyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(5-butyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide
PubChem CID119265205
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name1-amino-N-(5-butyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide
SMILESCCCCc1nnc(NC(=O)C2(N)CCCCC2)s1
InChIInChI=1S/C13H22N4OS/c1-2-3-7-10-16-17-12(19-10)15-11(18)13(14)8-5-4-6-9-13/h2-9,14H2,1H3,(H,15,17,18)
InChIKeyUISRRNZIDCOLJU-UHFFFAOYSA-N
XLogP2.48
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-hydroxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)cyclopentane-1-carboxamide
CID 110907147
4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)oxane-4-carboxamide
CID 113335005
2-(1-hydroxycyclopentyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide
CID 111430455
N-(5-butyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
CID 19181493
ethyl N-(5-butyl-1,3,4-thiadiazol-2-yl)carbamate
CID 121088928
(E)-N'-(5-butyl-1,3,4-thiadiazol-2-yl)but-2-enediamide
CID 6435707
1-amino-N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide;hydrochloride
CID 119777341
N-(5-pentadecyl-1,3,4-thiadiazol-2-yl)acetamide
CID 5080643
1-amino-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide
CID 119674558
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyclohexylacetamide
CID 52896832
N-(5-pentyl-1,3,4-thiadiazol-2-yl)butanamide
CID 4629599
N-(5-pentyl-1,3,4-thiadiazol-2-yl)pentanamide
CID 2197904

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(5-butyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-(5-butyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide (CID 119265205) is 1-amino-N-(5-butyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(5-butyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-(5-butyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide is CCCCc1nnc(NC(=O)C2(N)CCCCC2)s1.
What is the InChIKey of 1-amino-N-(5-butyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide?
The InChIKey is UISRRNZIDCOLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-2-3-7-10-16-17-12(19-10)15-11(18)13(14)8-5-4-6-9-13/h2-9,14H2,1H3,(H,15,17,18).
What are the key properties of 1-amino-N-(5-butyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide?
1-amino-N-(5-butyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide has a molecular weight of 282.41 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(5-butyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 119265205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).