N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)naphthalene-1-carboxamide

C15H14N4OS — CID 5011556

IUPACN-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)naphthalene-1-carboxamide
SMILESCSc1nnc(C)n1NC(=O)c1cccc2ccccc12
InChIInChI=1S/C15H14N4OS/c1-10-16-17-15(21-2)19(10)18-14(20)13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,1-2H3,(H,18,20)
InChIKeyGPYYYUFDHIHXTG-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.85
Rot. Bonds3

About N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)naphthalene-1-carboxamide

N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)naphthalene-1-carboxamide (PubChem CID 5011556) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)naphthalene-1-carboxamide
PubChem CID5011556
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC NameN-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)naphthalene-1-carboxamide
SMILESCSc1nnc(C)n1NC(=O)c1cccc2ccccc12
InChIInChI=1S/C15H14N4OS/c1-10-16-17-15(21-2)19(10)18-14(20)13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,1-2H3,(H,18,20)
InChIKeyGPYYYUFDHIHXTG-UHFFFAOYSA-N
XLogP2.85
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-3-methyl-N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzamide
CID 4261896
N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]-2-nitrobenzamide
CID 3594185
3-methyl-5-methylsulfanyl-4-naphthalen-1-yl-1,2,4-triazole
CID 163991724
N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-5-bromo-2-methoxy-3-methylbenzamide
CID 3912696
N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-2-fluorobenzamide
CID 3301813
N-(5-methyl-2-pyridinyl)naphthalene-1-carboxamide
CID 673887
5-(4-bromophenyl)-N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)furan-2-carboxamide
CID 4008162
N-(4,6-dimethylpyrimidin-2-yl)naphthalene-1-carboxamide
CID 966576
CID 129133768
CID 129133768
N-[5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]naphthalene-1-carboxamide
CID 5055524
N-(2-amino-2-oxoethyl)naphthalene-1-carboxamide
CID 4059241
ethane;N-ethylnaphthalene-1-carboxamide;propane
CID 144944456

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)naphthalene-1-carboxamide?
The IUPAC name of N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)naphthalene-1-carboxamide (CID 5011556) is N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)naphthalene-1-carboxamide?
The canonical SMILES for N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)naphthalene-1-carboxamide is CSc1nnc(C)n1NC(=O)c1cccc2ccccc12.
What is the InChIKey of N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)naphthalene-1-carboxamide?
The InChIKey is GPYYYUFDHIHXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c1-10-16-17-15(21-2)19(10)18-14(20)13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,1-2H3,(H,18,20).
What are the key properties of N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)naphthalene-1-carboxamide?
N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)naphthalene-1-carboxamide has a molecular weight of 298.37 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)naphthalene-1-carboxamide is sourced from PubChem (CID 5011556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).