N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-naphthalen-1-ylacetamide

C17H15N3OS — CID 8503008

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-naphthalen-1-ylacetamide
SMILESO=C(Cc1cccc2ccccc12)Nc1nnc(C2CC2)s1
InChIInChI=1S/C17H15N3OS/c21-15(18-17-20-19-16(22-17)12-8-9-12)10-13-6-3-5-11-4-1-2-7-14(11)13/h1-7,12H,8-10H2,(H,18,20,21)
InChIKeyJTIDCTKALBAIKW-UHFFFAOYSA-N
MW309.39 g/mol
LogP3.75
Rot. Bonds4

About N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-naphthalen-1-ylacetamide

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-naphthalen-1-ylacetamide (PubChem CID 8503008) has the molecular formula C17H15N3OS and a molecular weight of 309.39 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-naphthalen-1-ylacetamide
PubChem CID8503008
Molecular FormulaC17H15N3OS
Molecular Weight309.39 g/mol
Exact Mass309.09
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-naphthalen-1-ylacetamide
SMILESO=C(Cc1cccc2ccccc12)Nc1nnc(C2CC2)s1
InChIInChI=1S/C17H15N3OS/c21-15(18-17-20-19-16(22-17)12-8-9-12)10-13-6-3-5-11-4-1-2-7-14(11)13/h1-7,12H,8-10H2,(H,18,20,21)
InChIKeyJTIDCTKALBAIKW-UHFFFAOYSA-N
XLogP3.75
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxyphenyl)acetamide
CID 52899109
2-naphthalen-1-yl-N-[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 4688025
2-(2-aminophenyl)-N-[5-[(1R,3R)-3-[5-[[2-(2-aminophenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 90163237
N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-[3-(dimethylamino)phenyl]acetamide
CID 135234164
2-(2-methoxyphenyl)-N-[5-[(1S,3R)-3-[5-[[2-(2-methoxyphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cycloheptyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 90163300
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-phenylbutanamide
CID 5154361
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 23609443
2-(2-nitrophenyl)-N-[5-[(1S,3S)-3-[5-[[2-(2-nitrophenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 90163241
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,2-diphenylacetamide
CID 2408234
2-amino-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide;hydrochloride
CID 130694011
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-pyridin-4-ylacetamide
CID 135234210
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1-oxophthalazin-2-yl)acetamide
CID 46577030

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-naphthalen-1-ylacetamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-naphthalen-1-ylacetamide (CID 8503008) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-naphthalen-1-ylacetamide is O=C(Cc1cccc2ccccc12)Nc1nnc(C2CC2)s1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-naphthalen-1-ylacetamide?
The InChIKey is JTIDCTKALBAIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS/c21-15(18-17-20-19-16(22-17)12-8-9-12)10-13-6-3-5-11-4-1-2-7-14(11)13/h1-7,12H,8-10H2,(H,18,20,21).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-naphthalen-1-ylacetamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-naphthalen-1-ylacetamide has a molecular weight of 309.39 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 8503008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).