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

C14H29N5S — CID 102996900

IUPACN,N,N'-triethyl-N'-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]propane-1,3-diamine
SMILESCCNc1nnc(CN(CC)CCCN(CC)CC)s1
InChIInChI=1S/C14H29N5S/c1-5-15-14-17-16-13(20-14)12-19(8-4)11-9-10-18(6-2)7-3/h5-12H2,1-4H3,(H,15,17)
InChIKeyRERUCTOYKVFDOP-UHFFFAOYSA-N
MW299.49 g/mol
LogP2.52
Rot. Bonds11

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

N,N,N'-triethyl-N'-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]propane-1,3-diamine (PubChem CID 102996900) has the molecular formula C14H29N5S and a molecular weight of 299.49 g/mol. Its IUPAC name is N,N,N'-triethyl-N'-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N,N'-triethyl-N'-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]propane-1,3-diamine
PubChem CID102996900
Molecular FormulaC14H29N5S
Molecular Weight299.49 g/mol
Exact Mass299.21
IUPAC NameN,N,N'-triethyl-N'-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]propane-1,3-diamine
SMILESCCNc1nnc(CN(CC)CCCN(CC)CC)s1
InChIInChI=1S/C14H29N5S/c1-5-15-14-17-16-13(20-14)12-19(8-4)11-9-10-18(6-2)7-3/h5-12H2,1-4H3,(H,15,17)
InChIKeyRERUCTOYKVFDOP-UHFFFAOYSA-N
XLogP2.52
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.49
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80606920
2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]propan-1-ol
CID 104554428
5-[[butan-2-yl(butyl)amino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine
CID 80607146
5-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]pentan-1-ol
CID 107204436
5-[[cyclopropyl(propyl)amino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine
CID 80606877
5-[[cyclopentyl(ethyl)amino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine
CID 80606575
3-[ethyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]propanenitrile
CID 80606201
N-ethyl-2-[ethyl-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]acetamide
CID 80606213
N-ethyl-5-[(4-ethyl-N-methylanilino)methyl]-1,3,4-thiadiazol-2-amine
CID 80607542
2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]-N-methylacetamide
CID 80606572
N-ethyl-5-[[(4-ethylcyclohexyl)-methylamino]methyl]-1,3,4-thiadiazol-2-amine
CID 80607246
5-[[bis(3-methylbutyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 107871076

Frequently Asked Questions

What is the IUPAC name of N,N,N'-triethyl-N'-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]propane-1,3-diamine?
The IUPAC name of N,N,N'-triethyl-N'-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]propane-1,3-diamine (CID 102996900) is N,N,N'-triethyl-N'-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]propane-1,3-diamine.
What is the SMILES notation for N,N,N'-triethyl-N'-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]propane-1,3-diamine?
The canonical SMILES for N,N,N'-triethyl-N'-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]propane-1,3-diamine is CCNc1nnc(CN(CC)CCCN(CC)CC)s1.
What is the InChIKey of N,N,N'-triethyl-N'-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]propane-1,3-diamine?
The InChIKey is RERUCTOYKVFDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N5S/c1-5-15-14-17-16-13(20-14)12-19(8-4)11-9-10-18(6-2)7-3/h5-12H2,1-4H3,(H,15,17).
What are the key properties of N,N,N'-triethyl-N'-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]propane-1,3-diamine?
N,N,N'-triethyl-N'-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]propane-1,3-diamine has a molecular weight of 299.49 g/mol, XLogP of 2.52, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-triethyl-N'-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]propane-1,3-diamine is sourced from PubChem (CID 102996900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).