N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C16H19N3OS — CID 90651661

IUPACN-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCc1nnc(CCNC(=O)c2ccc3c(c2)CCCC3)s1
InChIInChI=1S/C16H19N3OS/c1-11-18-19-15(21-11)8-9-17-16(20)14-7-6-12-4-2-3-5-13(12)10-14/h6-7,10H,2-5,8-9H2,1H3,(H,17,20)
InChIKeyQDJVQYIDIOZPIR-UHFFFAOYSA-N
MW301.42 g/mol
LogP2.70
Rot. Bonds4

About N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 90651661) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID90651661
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC NameN-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCc1nnc(CCNC(=O)c2ccc3c(c2)CCCC3)s1
InChIInChI=1S/C16H19N3OS/c1-11-18-19-15(21-11)8-9-17-16(20)14-7-6-12-4-2-3-5-13(12)10-14/h6-7,10H,2-5,8-9H2,1H3,(H,17,20)
InChIKeyQDJVQYIDIOZPIR-UHFFFAOYSA-N
XLogP2.70
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylsulfonylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 60545524
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9011514
N-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide;hydrochloride
CID 119382194
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]benzamide
CID 56882872
N-(2-pyridin-3-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 24661254
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 51291464
N-[3-(3-methylphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 84533264
3-(2,3-dihydro-1H-indene-5-carbonylamino)propanoic acid
CID 18071901
N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 136538177
N-[2-(2-fluorophenyl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9100118
N-(3-ethoxypropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95903042
2-chloro-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]benzamide
CID 110870261

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 90651661) is N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is Cc1nnc(CCNC(=O)c2ccc3c(c2)CCCC3)s1.
What is the InChIKey of N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is QDJVQYIDIOZPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-11-18-19-15(21-11)8-9-17-16(20)14-7-6-12-4-2-3-5-13(12)10-14/h6-7,10H,2-5,8-9H2,1H3,(H,17,20).
What are the key properties of N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 301.42 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 90651661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).