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

C13H21N3OS — CID 19181493

IUPACN-(5-butyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
SMILESCCCCc1nnc(NC(=O)C2CCCCC2)s1
InChIInChI=1S/C13H21N3OS/c1-2-3-9-11-15-16-13(18-11)14-12(17)10-7-5-4-6-8-10/h10H,2-9H2,1H3,(H,14,16,17)
InChIKeySIYVAZMRRQLJJP-UHFFFAOYSA-N
MW267.40 g/mol
LogP3.40
Rot. Bonds5

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

N-(5-butyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide (PubChem CID 19181493) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is N-(5-butyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(5-butyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
PubChem CID19181493
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC NameN-(5-butyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
SMILESCCCCc1nnc(NC(=O)C2CCCCC2)s1
InChIInChI=1S/C13H21N3OS/c1-2-3-9-11-15-16-13(18-11)14-12(17)10-7-5-4-6-8-10/h10H,2-9H2,1H3,(H,14,16,17)
InChIKeySIYVAZMRRQLJJP-UHFFFAOYSA-N
XLogP3.40
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-butyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 119265189
N-[5-(3-aminopropyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
CID 82176519
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyclohexylacetamide
CID 52896832
N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 47988948
3-N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 56921381
N-(5-pentyl-1,3,4-thiadiazol-2-yl)piperidine-2-carboxamide
CID 119265861
1-butanoyl-N-(5-octyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 55906892
N-[5-(3-aminopropyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 82176550
N-(5-propyl-1,3,4-thiadiazol-2-yl)azetidine-3-carboxamide
CID 142435171
trans-(1R,3R)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 51958422
(3S)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37027971
(3R)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37027970

Frequently Asked Questions

What is the IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide?
The IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide (CID 19181493) is N-(5-butyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(5-butyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(5-butyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide is CCCCc1nnc(NC(=O)C2CCCCC2)s1.
What is the InChIKey of N-(5-butyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide?
The InChIKey is SIYVAZMRRQLJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-2-3-9-11-15-16-13(18-11)14-12(17)10-7-5-4-6-8-10/h10H,2-9H2,1H3,(H,14,16,17).
What are the key properties of N-(5-butyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide?
N-(5-butyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide has a molecular weight of 267.40 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-butyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide is sourced from PubChem (CID 19181493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).