5-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine

C10H15N7OS2 — CID 80883839

IUPAC5-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCCCOc1nc(N)nc(Sc2nnc(N(C)C)s2)n1
InChIInChI=1S/C10H15N7OS2/c1-4-5-18-7-12-6(11)13-8(14-7)19-10-16-15-9(20-10)17(2)3/h4-5H2,1-3H3,(H2,11,12,13,14)
InChIKeyNVLRFSLNYPIOIB-UHFFFAOYSA-N
MW313.41 g/mol
LogP1.31
Rot. Bonds6

About 5-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine

5-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 80883839) has the molecular formula C10H15N7OS2 and a molecular weight of 313.41 g/mol. Its IUPAC name is 5-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID80883839
Molecular FormulaC10H15N7OS2
Molecular Weight313.41 g/mol
Exact Mass313.08
IUPAC Name5-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCCCOc1nc(N)nc(Sc2nnc(N(C)C)s2)n1
InChIInChI=1S/C10H15N7OS2/c1-4-5-18-7-12-6(11)13-8(14-7)19-10-16-15-9(20-10)17(2)3/h4-5H2,1-3H3,(H2,11,12,13,14)
InChIKeyNVLRFSLNYPIOIB-UHFFFAOYSA-N
XLogP1.31
TPSA102.94 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 80883839) is 5-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is CCCOc1nc(N)nc(Sc2nnc(N(C)C)s2)n1.
What is the InChIKey of 5-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is NVLRFSLNYPIOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N7OS2/c1-4-5-18-7-12-6(11)13-8(14-7)19-10-16-15-9(20-10)17(2)3/h4-5H2,1-3H3,(H2,11,12,13,14).
What are the key properties of 5-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 313.41 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80883839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).