6-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine

C9H14N8S2 — CID 8911520

IUPAC6-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nnc(SCc2nc(N)nc(N)n2)s1
InChIInChI=1S/C9H14N8S2/c1-2-3-12-8-16-17-9(19-8)18-4-5-13-6(10)15-7(11)14-5/h2-4H2,1H3,(H,12,16)(H4,10,11,13,14,15)
InChIKeyJTGPTUIJIZFMME-UHFFFAOYSA-N
MW298.40 g/mol
LogP1.00
Rot. Bonds6

About 6-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine

6-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 8911520) has the molecular formula C9H14N8S2 and a molecular weight of 298.40 g/mol. Its IUPAC name is 6-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine
PubChem CID8911520
Molecular FormulaC9H14N8S2
Molecular Weight298.40 g/mol
Exact Mass298.08
IUPAC Name6-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nnc(SCc2nc(N)nc(N)n2)s1
InChIInChI=1S/C9H14N8S2/c1-2-3-12-8-16-17-9(19-8)18-4-5-13-6(10)15-7(11)14-5/h2-4H2,1H3,(H,12,16)(H4,10,11,13,14,15)
InChIKeyJTGPTUIJIZFMME-UHFFFAOYSA-N
XLogP1.00
TPSA128.52 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.40
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 6-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

N-propyl-5-(pyrimidin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 119047027
6-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 9477587
6-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-2H-1,2,4-triazine-3,5-dione
CID 138015512
5-[(5-bromo-2-pyridinyl)methylsulfanyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 119041692
5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80614268
ethyl 5-amino-4-cyano-3-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2-carboxylate
CID 8911065
N,N-diethyl-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 47115255
5-[(4-chlorophenyl)methylsulfanyl]-N-heptyl-1,3,4-thiadiazol-2-amine
CID 110826943
6-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-propylpyrimidin-4-amine
CID 115383635
(2S)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 9378718
2-N,2-N-dimethyl-6-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 17496145
propan-2-yl 2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
CID 37042715

Frequently Asked Questions

What is the IUPAC name of 6-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine (CID 8911520) is 6-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine is CCCNc1nnc(SCc2nc(N)nc(N)n2)s1.
What is the InChIKey of 6-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is JTGPTUIJIZFMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N8S2/c1-2-3-12-8-16-17-9(19-8)18-4-5-13-6(10)15-7(11)14-5/h2-4H2,1H3,(H,12,16)(H4,10,11,13,14,15).
What are the key properties of 6-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine?
6-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 298.40 g/mol, XLogP of 1.00, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 8911520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).