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

C14H19N3O3S — CID 103865684

IUPAC5-ethyl-N-[(2,4,5-trimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NCc2cc(OC)c(OC)cc2OC)s1
InChIInChI=1S/C14H19N3O3S/c1-5-13-16-17-14(21-13)15-8-9-6-11(19-3)12(20-4)7-10(9)18-2/h6-7H,5,8H2,1-4H3,(H,15,17)
InChIKeyFYKOBMWLBLNAJN-UHFFFAOYSA-N
MW309.39 g/mol
LogP2.74
Rot. Bonds7

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

5-ethyl-N-[(2,4,5-trimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 103865684) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 5-ethyl-N-[(2,4,5-trimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-ethyl-N-[(2,4,5-trimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID103865684
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name5-ethyl-N-[(2,4,5-trimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NCc2cc(OC)c(OC)cc2OC)s1
InChIInChI=1S/C14H19N3O3S/c1-5-13-16-17-14(21-13)15-8-9-6-11(19-3)12(20-4)7-10(9)18-2/h6-7H,5,8H2,1-4H3,(H,15,17)
InChIKeyFYKOBMWLBLNAJN-UHFFFAOYSA-N
XLogP2.74
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine
CID 103865673
2-[[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]methyl]-4-methoxyphenol
CID 107647752
N-[(2,5-dimethoxyphenyl)methyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 103926054
5-ethyl-N-[(2-propan-2-yloxyphenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 103933943
N-[[2-(difluoromethoxy)phenyl]methyl]-5-ethyl-1,3,4-thiadiazol-2-amine
CID 103933926
5-ethyl-N-[(4-fluoro-2-methylphenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 103934002
5-ethyl-N-[(2-prop-2-ynoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 103933897
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxy-5-methylphenyl)acetamide
CID 9192627
5-ethyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 115924677
5-ethyl-N-(pyrimidin-5-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 115924687
N-[(2,4,5-trimethoxyphenyl)methyl]-2H-tetrazol-5-amine
CID 4726696
5-ethyl-N-(1,3-thiazol-2-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 103933936

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(2,4,5-trimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-ethyl-N-[(2,4,5-trimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine (CID 103865684) is 5-ethyl-N-[(2,4,5-trimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-ethyl-N-[(2,4,5-trimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-ethyl-N-[(2,4,5-trimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine is CCc1nnc(NCc2cc(OC)c(OC)cc2OC)s1.
What is the InChIKey of 5-ethyl-N-[(2,4,5-trimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is FYKOBMWLBLNAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-5-13-16-17-14(21-13)15-8-9-6-11(19-3)12(20-4)7-10(9)18-2/h6-7H,5,8H2,1-4H3,(H,15,17).
What are the key properties of 5-ethyl-N-[(2,4,5-trimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine?
5-ethyl-N-[(2,4,5-trimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 309.39 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(2,4,5-trimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 103865684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).