N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-5-naphthalen-1-yl-1,2,4-triazin-3-amine

C18H16N6S2 — CID 42594644

IUPACN-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-5-naphthalen-1-yl-1,2,4-triazin-3-amine
SMILESCc1nnc(SCCNc2nncc(-c3cccc4ccccc34)n2)s1
InChIInChI=1S/C18H16N6S2/c1-12-22-24-18(26-12)25-10-9-19-17-21-16(11-20-23-17)15-8-4-6-13-5-2-3-7-14(13)15/h2-8,11H,9-10H2,1H3,(H,19,21,23)
InChIKeyZNNCRLBHIHLBDN-UHFFFAOYSA-N
MW380.50 g/mol
LogP4.06
Rot. Bonds6

About N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-5-naphthalen-1-yl-1,2,4-triazin-3-amine

N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-5-naphthalen-1-yl-1,2,4-triazin-3-amine (PubChem CID 42594644) has the molecular formula C18H16N6S2 and a molecular weight of 380.50 g/mol. Its IUPAC name is N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-5-naphthalen-1-yl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-5-naphthalen-1-yl-1,2,4-triazin-3-amine
PubChem CID42594644
Molecular FormulaC18H16N6S2
Molecular Weight380.50 g/mol
Exact Mass380.09
IUPAC NameN-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-5-naphthalen-1-yl-1,2,4-triazin-3-amine
SMILESCc1nnc(SCCNc2nncc(-c3cccc4ccccc34)n2)s1
InChIInChI=1S/C18H16N6S2/c1-12-22-24-18(26-12)25-10-9-19-17-21-16(11-20-23-17)15-8-4-6-13-5-2-3-7-14(13)15/h2-8,11H,9-10H2,1H3,(H,19,21,23)
InChIKeyZNNCRLBHIHLBDN-UHFFFAOYSA-N
XLogP4.06
TPSA76.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-naphthalen-1-yl-1,2,4-triazin-3-amine
CID 42402139
1-methoxy-3-[(5-naphthalen-1-yl-1,2,4-triazin-3-yl)amino]propan-2-ol
CID 45202050
N-[[3-(2-methylphenyl)-1H-pyrazol-5-yl]methyl]-5-naphthalen-1-yl-1,2,4-triazin-3-amine
CID 70901598
3-[2-[(5-naphthalen-1-yl-1,2,4-triazin-3-yl)amino]ethyl]-1,3-oxazolidin-2-one
CID 25292627
5-fluoro-4-N,4-N-dimethyl-2-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]pyrimidine-2,4-diamine
CID 72877914
N-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
CID 61386393
(4-methyl-6-naphthalen-1-ylpyrimidin-2-yl)hydrazine
CID 116897194
2-methyl-5-methylsulfonyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]pyrimidin-4-amine
CID 72929890
2-methyl-5-[[6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-pyridinyl]methylsulfanyl]-1,3,4-thiadiazole
CID 2227390
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]isoindole-1,3-dione
CID 3381295
N-[(4-methoxyphenyl)methyl]-5-(2-methylphenyl)-1,2,4-triazin-3-amine
CID 30869203
1-[2-hydroxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]naphthalen-1-yl]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]naphthalen-2-ol
CID 24777955

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-5-naphthalen-1-yl-1,2,4-triazin-3-amine?
The IUPAC name of N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-5-naphthalen-1-yl-1,2,4-triazin-3-amine (CID 42594644) is N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-5-naphthalen-1-yl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-5-naphthalen-1-yl-1,2,4-triazin-3-amine?
The canonical SMILES for N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-5-naphthalen-1-yl-1,2,4-triazin-3-amine is Cc1nnc(SCCNc2nncc(-c3cccc4ccccc34)n2)s1.
What is the InChIKey of N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-5-naphthalen-1-yl-1,2,4-triazin-3-amine?
The InChIKey is ZNNCRLBHIHLBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6S2/c1-12-22-24-18(26-12)25-10-9-19-17-21-16(11-20-23-17)15-8-4-6-13-5-2-3-7-14(13)15/h2-8,11H,9-10H2,1H3,(H,19,21,23).
What are the key properties of N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-5-naphthalen-1-yl-1,2,4-triazin-3-amine?
N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-5-naphthalen-1-yl-1,2,4-triazin-3-amine has a molecular weight of 380.50 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-5-naphthalen-1-yl-1,2,4-triazin-3-amine is sourced from PubChem (CID 42594644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).