N-ethyl-5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-1,3,4-thiadiazol-2-amine

C12H18N4S2 — CID 80606920

IUPACN-ethyl-5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(CN(CC)Cc2cccs2)s1
InChIInChI=1S/C12H18N4S2/c1-3-13-12-15-14-11(18-12)9-16(4-2)8-10-6-5-7-17-10/h5-7H,3-4,8-9H2,1-2H3,(H,13,15)
InChIKeyXTACBXVNSSZWPF-UHFFFAOYSA-N
MW282.44 g/mol
LogP3.05
Rot. Bonds7

About N-ethyl-5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-1,3,4-thiadiazol-2-amine

N-ethyl-5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 80606920) has the molecular formula C12H18N4S2 and a molecular weight of 282.44 g/mol. Its IUPAC name is N-ethyl-5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
PubChem CID80606920
Molecular FormulaC12H18N4S2
Molecular Weight282.44 g/mol
Exact Mass282.10
IUPAC NameN-ethyl-5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(CN(CC)Cc2cccs2)s1
InChIInChI=1S/C12H18N4S2/c1-3-13-12-15-14-11(18-12)9-16(4-2)8-10-6-5-7-17-10/h5-7H,3-4,8-9H2,1-2H3,(H,13,15)
InChIKeyXTACBXVNSSZWPF-UHFFFAOYSA-N
XLogP3.05
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N,N'-triethyl-N'-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]propane-1,3-diamine
CID 102996900
N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-1-thiophen-2-ylmethanamine
CID 80614574
N-[[4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 62462221
5-butyl-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 115910533
N,N'-diethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 10512741
N-propyl-5-(thiophen-2-ylmethoxymethyl)-1,3,4-thiadiazol-2-amine
CID 80614537
N-[[4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62462397
N-ethyl-2-[4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]phenyl]ethanamine
CID 105347484
4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]aniline
CID 43458870
2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]propan-1-ol
CID 104554428
N,2-diethyl-2-methyl-N'-propyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62259654
N-ethyl-5-[(4-ethyl-N-methylanilino)methyl]-1,3,4-thiadiazol-2-amine
CID 80607542

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-ethyl-5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-1,3,4-thiadiazol-2-amine (CID 80606920) is N-ethyl-5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-ethyl-5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-ethyl-5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-1,3,4-thiadiazol-2-amine is CCNc1nnc(CN(CC)Cc2cccs2)s1.
What is the InChIKey of N-ethyl-5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is XTACBXVNSSZWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S2/c1-3-13-12-15-14-11(18-12)9-16(4-2)8-10-6-5-7-17-10/h5-7H,3-4,8-9H2,1-2H3,(H,13,15).
What are the key properties of N-ethyl-5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-1,3,4-thiadiazol-2-amine?
N-ethyl-5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 282.44 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80606920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).