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

C11H17N7OS2 — CID 80882019

IUPACN,N-dimethyl-5-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]sulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCCCOc1nc(NC)nc(Sc2nnc(N(C)C)s2)n1
InChIInChI=1S/C11H17N7OS2/c1-5-6-19-8-13-7(12-2)14-9(15-8)20-11-17-16-10(21-11)18(3)4/h5-6H2,1-4H3,(H,12,13,14,15)
InChIKeyRQBRCECGADMHKP-UHFFFAOYSA-N
MW327.44 g/mol
LogP1.77
Rot. Bonds7

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

N,N-dimethyl-5-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]sulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 80882019) has the molecular formula C11H17N7OS2 and a molecular weight of 327.44 g/mol. Its IUPAC name is N,N-dimethyl-5-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]sulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]sulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID80882019
Molecular FormulaC11H17N7OS2
Molecular Weight327.44 g/mol
Exact Mass327.09
IUPAC NameN,N-dimethyl-5-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]sulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCCCOc1nc(NC)nc(Sc2nnc(N(C)C)s2)n1
InChIInChI=1S/C11H17N7OS2/c1-5-6-19-8-13-7(12-2)14-9(15-8)20-11-17-16-10(21-11)18(3)4/h5-6H2,1-4H3,(H,12,13,14,15)
InChIKeyRQBRCECGADMHKP-UHFFFAOYSA-N
XLogP1.77
TPSA88.95 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.44
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]sulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N,N-dimethyl-5-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]sulfanyl]-1,3,4-thiadiazol-2-amine (CID 80882019) is N,N-dimethyl-5-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]sulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N,N-dimethyl-5-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]sulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N,N-dimethyl-5-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]sulfanyl]-1,3,4-thiadiazol-2-amine is CCCOc1nc(NC)nc(Sc2nnc(N(C)C)s2)n1.
What is the InChIKey of N,N-dimethyl-5-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]sulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is RQBRCECGADMHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7OS2/c1-5-6-19-8-13-7(12-2)14-9(15-8)20-11-17-16-10(21-11)18(3)4/h5-6H2,1-4H3,(H,12,13,14,15).
What are the key properties of N,N-dimethyl-5-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]sulfanyl]-1,3,4-thiadiazol-2-amine?
N,N-dimethyl-5-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]sulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 327.44 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]sulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80882019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).