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

C18H21N5OS2 — CID 4822968

IUPACN-(1-cyanocyclopentyl)-2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCc1ccc(Nc2nnc(SCC(=O)NC3(C#N)CCCC3)s2)cc1C
InChIInChI=1S/C18H21N5OS2/c1-12-5-6-14(9-13(12)2)20-16-22-23-17(26-16)25-10-15(24)21-18(11-19)7-3-4-8-18/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,20,22)(H,21,24)
InChIKeyGKHULOJJLJKHKU-UHFFFAOYSA-N
MW387.53 g/mol
LogP3.94
Rot. Bonds6

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

N-(1-cyanocyclopentyl)-2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (PubChem CID 4822968) has the molecular formula C18H21N5OS2 and a molecular weight of 387.53 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
PubChem CID4822968
Molecular FormulaC18H21N5OS2
Molecular Weight387.53 g/mol
Exact Mass387.12
IUPAC NameN-(1-cyanocyclopentyl)-2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCc1ccc(Nc2nnc(SCC(=O)NC3(C#N)CCCC3)s2)cc1C
InChIInChI=1S/C18H21N5OS2/c1-12-5-6-14(9-13(12)2)20-16-22-23-17(26-16)25-10-15(24)21-18(11-19)7-3-4-8-18/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,20,22)(H,21,24)
InChIKeyGKHULOJJLJKHKU-UHFFFAOYSA-N
XLogP3.94
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(1-cyanocyclopentyl)-2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide with MolForge

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Related Compounds

N-(1-cyanocyclohexyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 8911298
2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(1-cyanocyclohexyl)acetamide
CID 18080509
2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 7754109
2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide
CID 8870027
4-[[2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzamide
CID 2584672
N-(1-cyanocyclopentyl)-2-[[5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 7883412
2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methylsulfonylphenyl)acetamide
CID 24569937
N-(3,5-dimethoxyphenyl)-2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 23881198
2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-methoxypropyl)acetamide
CID 8870091
2-(4-amino-3-methylphenyl)sulfanyl-N-(1-cyanocyclopentyl)acetamide
CID 79148726
N-(2,4-dichlorophenyl)-2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 23911509
2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 2693491

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(1-cyanocyclopentyl)-2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (CID 4822968) is N-(1-cyanocyclopentyl)-2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is Cc1ccc(Nc2nnc(SCC(=O)NC3(C#N)CCCC3)s2)cc1C.
What is the InChIKey of N-(1-cyanocyclopentyl)-2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is GKHULOJJLJKHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5OS2/c1-12-5-6-14(9-13(12)2)20-16-22-23-17(26-16)25-10-15(24)21-18(11-19)7-3-4-8-18/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,20,22)(H,21,24).
What are the key properties of N-(1-cyanocyclopentyl)-2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
N-(1-cyanocyclopentyl)-2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 387.53 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 4822968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).