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

C14H19N3OS — CID 103933943

IUPAC5-ethyl-N-[(2-propan-2-yloxyphenyl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NCc2ccccc2OC(C)C)s1
InChIInChI=1S/C14H19N3OS/c1-4-13-16-17-14(19-13)15-9-11-7-5-6-8-12(11)18-10(2)3/h5-8,10H,4,9H2,1-3H3,(H,15,17)
InChIKeyCTGJVSJPNDJVFC-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.50
Rot. Bonds6

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

5-ethyl-N-[(2-propan-2-yloxyphenyl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 103933943) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 5-ethyl-N-[(2-propan-2-yloxyphenyl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-ethyl-N-[(2-propan-2-yloxyphenyl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID103933943
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name5-ethyl-N-[(2-propan-2-yloxyphenyl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NCc2ccccc2OC(C)C)s1
InChIInChI=1S/C14H19N3OS/c1-4-13-16-17-14(19-13)15-9-11-7-5-6-8-12(11)18-10(2)3/h5-8,10H,4,9H2,1-3H3,(H,15,17)
InChIKeyCTGJVSJPNDJVFC-UHFFFAOYSA-N
XLogP3.50
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(difluoromethoxy)phenyl]methyl]-5-ethyl-1,3,4-thiadiazol-2-amine
CID 103933926
5-ethyl-N-[(2-prop-2-ynoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 103933897
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine
CID 103865673
5-ethyl-N-[(4-fluoro-2-methylphenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 103934002
5-(aminomethyl)-N-(2-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-amine
CID 96666799
N-ethoxy-1-(2-propan-2-yloxyphenyl)methanamine
CID 78977002
3,5-dimethyl-N-[(2-propan-2-yloxyphenyl)methyl]aniline
CID 39369011
N-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine
CID 115924701
N-[(2-propan-2-yloxyphenyl)methyl]-4-propylaniline
CID 43769045
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine
CID 103700595
3-ethyl-N-[(2-propan-2-yloxyphenyl)methyl]pentan-2-amine
CID 55259412
2-(2-butan-2-ylphenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
CID 54787234

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(2-propan-2-yloxyphenyl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-ethyl-N-[(2-propan-2-yloxyphenyl)methyl]-1,3,4-thiadiazol-2-amine (CID 103933943) is 5-ethyl-N-[(2-propan-2-yloxyphenyl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-ethyl-N-[(2-propan-2-yloxyphenyl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-ethyl-N-[(2-propan-2-yloxyphenyl)methyl]-1,3,4-thiadiazol-2-amine is CCc1nnc(NCc2ccccc2OC(C)C)s1.
What is the InChIKey of 5-ethyl-N-[(2-propan-2-yloxyphenyl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is CTGJVSJPNDJVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-4-13-16-17-14(19-13)15-9-11-7-5-6-8-12(11)18-10(2)3/h5-8,10H,4,9H2,1-3H3,(H,15,17).
What are the key properties of 5-ethyl-N-[(2-propan-2-yloxyphenyl)methyl]-1,3,4-thiadiazol-2-amine?
5-ethyl-N-[(2-propan-2-yloxyphenyl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 277.39 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(2-propan-2-yloxyphenyl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 103933943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).