N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-[3-(dimethylamino)phenyl]acetamide

C17H22N4OS — CID 135234164

IUPACN-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-[3-(dimethylamino)phenyl]acetamide
SMILESCN(C)c1cccc(CC(=O)Nc2nnc(C3CCCC3)s2)c1
InChIInChI=1S/C17H22N4OS/c1-21(2)14-9-5-6-12(10-14)11-15(22)18-17-20-19-16(23-17)13-7-3-4-8-13/h5-6,9-10,13H,3-4,7-8,11H2,1-2H3,(H,18,20,22)
InChIKeyMTTNAWFWYHUULH-UHFFFAOYSA-N
MW330.46 g/mol
LogP3.44
Rot. Bonds5

About N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-[3-(dimethylamino)phenyl]acetamide

N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-[3-(dimethylamino)phenyl]acetamide (PubChem CID 135234164) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-[3-(dimethylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-[3-(dimethylamino)phenyl]acetamide
PubChem CID135234164
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC NameN-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-[3-(dimethylamino)phenyl]acetamide
SMILESCN(C)c1cccc(CC(=O)Nc2nnc(C3CCCC3)s2)c1
InChIInChI=1S/C17H22N4OS/c1-21(2)14-9-5-6-12(10-14)11-15(22)18-17-20-19-16(23-17)13-7-3-4-8-13/h5-6,9-10,13H,3-4,7-8,11H2,1-2H3,(H,18,20,22)
InChIKeyMTTNAWFWYHUULH-UHFFFAOYSA-N
XLogP3.44
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-cyanophenyl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acetamide
CID 144630686
2-(3-chlorophenyl)-N-[5-[3-[5-[[2-(3-chlorophenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 123847431
N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-pyridin-3-ylacetamide
CID 139460837
2-[3-(aminomethyl)phenyl]-N-[5-[3-[5-[[2-[3-(aminomethyl)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 123890028
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-pyridin-4-ylacetamide
CID 135234210
2-(3-cyanophenyl)-N-[5-[(1S,3S)-3-[5-[[2-(3-cyanophenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 90165642
2-(3-aminophenyl)-N-[5-[(1S,3S)-3-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 118444061
N-[5-[(1S,3S)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 86719123
2-(3-piperidin-4-ylphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(3-piperidin-4-ylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 90163405
2-(3-cyanophenyl)-N-[5-[(1S,3S)-3-[5-[[2-[3-(methylamino)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 163930138
2-[5-(diethylamino)cyclohexa-1,3-dien-1-yl]-N-[5-[(1S,3S)-3-[5-[[2-[3-(diethylamino)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 90186088
N-[5-[(1S,3S)-3-[5-[[2-[3-[bis(2-fluoroethyl)amino]phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[3-(3,3-difluoroazetidin-1-yl)phenyl]acetamide
CID 144630854

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-[3-(dimethylamino)phenyl]acetamide?
The IUPAC name of N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-[3-(dimethylamino)phenyl]acetamide (CID 135234164) is N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-[3-(dimethylamino)phenyl]acetamide.
What is the SMILES notation for N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-[3-(dimethylamino)phenyl]acetamide?
The canonical SMILES for N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-[3-(dimethylamino)phenyl]acetamide is CN(C)c1cccc(CC(=O)Nc2nnc(C3CCCC3)s2)c1.
What is the InChIKey of N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-[3-(dimethylamino)phenyl]acetamide?
The InChIKey is MTTNAWFWYHUULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-21(2)14-9-5-6-12(10-14)11-15(22)18-17-20-19-16(23-17)13-7-3-4-8-13/h5-6,9-10,13H,3-4,7-8,11H2,1-2H3,(H,18,20,22).
What are the key properties of N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-[3-(dimethylamino)phenyl]acetamide?
N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-[3-(dimethylamino)phenyl]acetamide has a molecular weight of 330.46 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-[3-(dimethylamino)phenyl]acetamide is sourced from PubChem (CID 135234164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).