4-[(5-naphthalen-1-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-amine

C22H17N5S2 — CID 1328543

IUPAC4-[(5-naphthalen-1-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-amine
SMILESNc1nc(CSc2nnc(-c3cccc4ccccc34)n2-c2ccccc2)cs1
InChIInChI=1S/C22H17N5S2/c23-21-24-16(13-28-21)14-29-22-26-25-20(27(22)17-9-2-1-3-10-17)19-12-6-8-15-7-4-5-11-18(15)19/h1-13H,14H2,(H2,23,24)
InChIKeyFWUJPPXHEKWVQA-UHFFFAOYSA-N
MW415.55 g/mol
LogP5.42
Rot. Bonds5

About 4-[(5-naphthalen-1-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-amine

4-[(5-naphthalen-1-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-amine (PubChem CID 1328543) has the molecular formula C22H17N5S2 and a molecular weight of 415.55 g/mol. Its IUPAC name is 4-[(5-naphthalen-1-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(5-naphthalen-1-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-amine
PubChem CID1328543
Molecular FormulaC22H17N5S2
Molecular Weight415.55 g/mol
Exact Mass415.09
IUPAC Name4-[(5-naphthalen-1-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-amine
SMILESNc1nc(CSc2nnc(-c3cccc4ccccc34)n2-c2ccccc2)cs1
InChIInChI=1S/C22H17N5S2/c23-21-24-16(13-28-21)14-29-22-26-25-20(27(22)17-9-2-1-3-10-17)19-12-6-8-15-7-4-5-11-18(15)19/h1-13H,14H2,(H2,23,24)
InChIKeyFWUJPPXHEKWVQA-UHFFFAOYSA-N
XLogP5.42
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.55
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[(5-naphthalen-1-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-amine with MolForge

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Related Compounds

4-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 2117094
5-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
CID 1083502
4-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 2084716
N-(4-methylphenyl)-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-amine
CID 2086058
2-{5-[(2,6-Dimethyl-phenylamino)-methyl]-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl}-N-(4-phenyl-thiazol-2-yl)-acetamide
CID 3134097
4-[5-Benzylsulfanyl-4-(3-fluorophenyl)-1,2,4-triazol-3-yl]-2-methyl-1,3-thiazole
CID 2744098
3-[(2-Methyl-1,3-thiazol-4-yl)methylsulfanyl]-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-4-amine
CID 9171007
N-benzyl-5-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine
CID 71745015
N-phenyl-N'-(4-phenyl-1,3-thiazol-2-yl)-[1,3,4]thiadiazole-2,5-diamine
CID 76318748
2-[[5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 172441687
2-[[5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide
CID 172455946
2-[[5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-dimethylphenyl)acetamide
CID 172456128

Frequently Asked Questions

What is the IUPAC name of 4-[(5-naphthalen-1-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(5-naphthalen-1-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-amine (CID 1328543) is 4-[(5-naphthalen-1-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(5-naphthalen-1-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(5-naphthalen-1-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-amine is Nc1nc(CSc2nnc(-c3cccc4ccccc34)n2-c2ccccc2)cs1.
What is the InChIKey of 4-[(5-naphthalen-1-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-amine?
The InChIKey is FWUJPPXHEKWVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5S2/c23-21-24-16(13-28-21)14-29-22-26-25-20(27(22)17-9-2-1-3-10-17)19-12-6-8-15-7-4-5-11-18(15)19/h1-13H,14H2,(H2,23,24).
What are the key properties of 4-[(5-naphthalen-1-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-amine?
4-[(5-naphthalen-1-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-amine has a molecular weight of 415.55 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-naphthalen-1-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 1328543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).