N,N,N'-trimethyl-N'-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]propane-1,3-diamine

C10H21N5S — CID 80608780

IUPACN,N,N'-trimethyl-N'-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]propane-1,3-diamine
SMILESCNc1nnc(CN(C)CCCN(C)C)s1
InChIInChI=1S/C10H21N5S/c1-11-10-13-12-9(16-10)8-15(4)7-5-6-14(2)3/h5-8H2,1-4H3,(H,11,13)
InChIKeyXRFKKIVPSHCBGN-UHFFFAOYSA-N
MW243.38 g/mol
LogP0.96
Rot. Bonds7

About N,N,N'-trimethyl-N'-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]propane-1,3-diamine

N,N,N'-trimethyl-N'-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]propane-1,3-diamine (PubChem CID 80608780) has the molecular formula C10H21N5S and a molecular weight of 243.38 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]propane-1,3-diamine
PubChem CID80608780
Molecular FormulaC10H21N5S
Molecular Weight243.38 g/mol
Exact Mass243.15
IUPAC NameN,N,N'-trimethyl-N'-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]propane-1,3-diamine
SMILESCNc1nnc(CN(C)CCCN(C)C)s1
InChIInChI=1S/C10H21N5S/c1-11-10-13-12-9(16-10)8-15(4)7-5-6-14(2)3/h5-8H2,1-4H3,(H,11,13)
InChIKeyXRFKKIVPSHCBGN-UHFFFAOYSA-N
XLogP0.96
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]propane-1,3-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]propane-1,3-diamine (CID 80608780) is N,N,N'-trimethyl-N'-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]propane-1,3-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]propane-1,3-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]propane-1,3-diamine is CNc1nnc(CN(C)CCCN(C)C)s1.
What is the InChIKey of N,N,N'-trimethyl-N'-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]propane-1,3-diamine?
The InChIKey is XRFKKIVPSHCBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N5S/c1-11-10-13-12-9(16-10)8-15(4)7-5-6-14(2)3/h5-8H2,1-4H3,(H,11,13).
What are the key properties of N,N,N'-trimethyl-N'-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]propane-1,3-diamine?
N,N,N'-trimethyl-N'-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]propane-1,3-diamine has a molecular weight of 243.38 g/mol, XLogP of 0.96, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]propane-1,3-diamine is sourced from PubChem (CID 80608780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).