3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-4-amine

C18H17N5S2 — CID 9171007

IUPAC3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-4-amine
SMILESCc1nc(CSc2nnc(Cc3cccc4ccccc34)n2N)cs1
InChIInChI=1S/C18H17N5S2/c1-12-20-15(10-24-12)11-25-18-22-21-17(23(18)19)9-14-7-4-6-13-5-2-3-8-16(13)14/h2-8,10H,9,11,19H2,1H3
InChIKeyAPRRMVUVKZGMHJ-UHFFFAOYSA-N
MW367.50 g/mol
LogP3.79
Rot. Bonds5

About 3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-4-amine

3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-4-amine (PubChem CID 9171007) has the molecular formula C18H17N5S2 and a molecular weight of 367.50 g/mol. Its IUPAC name is 3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-4-amine
PubChem CID9171007
Molecular FormulaC18H17N5S2
Molecular Weight367.50 g/mol
Exact Mass367.09
IUPAC Name3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-4-amine
SMILESCc1nc(CSc2nnc(Cc3cccc4ccccc34)n2N)cs1
InChIInChI=1S/C18H17N5S2/c1-12-20-15(10-24-12)11-25-18-22-21-17(23(18)19)9-14-7-4-6-13-5-2-3-8-16(13)14/h2-8,10H,9,11,19H2,1H3
InChIKeyAPRRMVUVKZGMHJ-UHFFFAOYSA-N
XLogP3.79
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-4-amine with MolForge

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Related Compounds

4-({[5-(1-naphthyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio}methyl)-1,3-thiazol-2-amine
CID 1328543
3-(4-Isopropylthiazol-2-yl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 49844563
3-(4-Isopropylthiazol-2-yl)-6-p-tolyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 49844564
4-[[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-2-methyl-1,3-thiazole
CID 2743984
3-(4-Methylphenyl)-5-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 2388345
3-[(2-Fluorophenyl)methyl]-5-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,2,4-triazol-4-amine
CID 2565484
3-(2-Fluorophenyl)-5-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,2,4-triazol-4-amine
CID 4817872
3-(3-Fluorophenyl)-5-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,2,4-triazol-4-amine
CID 4822121
3-[(2-Fluorophenyl)methyl]-5-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 4826793
3-(2-Fluorophenyl)-5-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 7443282
3-(3-Fluorophenyl)-5-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 7769689
3-(3-Fluorophenyl)-5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,2,4-triazol-4-amine
CID 7770080

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-4-amine?
The IUPAC name of 3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-4-amine (CID 9171007) is 3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-4-amine?
The canonical SMILES for 3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-4-amine is Cc1nc(CSc2nnc(Cc3cccc4ccccc34)n2N)cs1.
What is the InChIKey of 3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-4-amine?
The InChIKey is APRRMVUVKZGMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5S2/c1-12-20-15(10-24-12)11-25-18-22-21-17(23(18)19)9-14-7-4-6-13-5-2-3-8-16(13)14/h2-8,10H,9,11,19H2,1H3.
What are the key properties of 3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-4-amine?
3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-4-amine has a molecular weight of 367.50 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-4-amine is sourced from PubChem (CID 9171007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).