N-(1-cyanocyclohexyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

C14H21N5OS2 — CID 8911298

IUPACN-(1-cyanocyclohexyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCCCNc1nnc(SCC(=O)NC2(C#N)CCCCC2)s1
InChIInChI=1S/C14H21N5OS2/c1-2-8-16-12-18-19-13(22-12)21-9-11(20)17-14(10-15)6-4-3-5-7-14/h2-9H2,1H3,(H,16,18)(H,17,20)
InChIKeyHITROLXQSGGGQV-UHFFFAOYSA-N
MW339.49 g/mol
LogP2.79
Rot. Bonds7

About N-(1-cyanocyclohexyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

N-(1-cyanocyclohexyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (PubChem CID 8911298) has the molecular formula C14H21N5OS2 and a molecular weight of 339.49 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
PubChem CID8911298
Molecular FormulaC14H21N5OS2
Molecular Weight339.49 g/mol
Exact Mass339.12
IUPAC NameN-(1-cyanocyclohexyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCCCNc1nnc(SCC(=O)NC2(C#N)CCCCC2)s1
InChIInChI=1S/C14H21N5OS2/c1-2-8-16-12-18-19-13(22-12)21-9-11(20)17-14(10-15)6-4-3-5-7-14/h2-9H2,1H3,(H,16,18)(H,17,20)
InChIKeyHITROLXQSGGGQV-UHFFFAOYSA-N
XLogP2.79
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.49
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(1-cyanocyclohexyl)acetamide
CID 18080509
N-(1-cyanocyclopentyl)-2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 4822968
N-(1-cyanocyclopentyl)-2-[[5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 7883412
N-cyclohexyl-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 46826483
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
CID 7485834
N-pentan-2-yl-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 47115257
N-(1-cyanocyclohexyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 4819467
N,N-diethyl-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 47115255
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 9378701
[3-methyl-4-[[2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]phenyl] thiocyanate
CID 8911043
N-(5-chloro-2-cyanophenyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 8910009
N-(1-cyanocyclohexyl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 4821335

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (CID 8911298) is N-(1-cyanocyclohexyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is CCCNc1nnc(SCC(=O)NC2(C#N)CCCCC2)s1.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is HITROLXQSGGGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5OS2/c1-2-8-16-12-18-19-13(22-12)21-9-11(20)17-14(10-15)6-4-3-5-7-14/h2-9H2,1H3,(H,16,18)(H,17,20).
What are the key properties of N-(1-cyanocyclohexyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
N-(1-cyanocyclohexyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 339.49 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 8911298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).