5-(aminomethyl)-N-(2-ethoxyphenyl)-1,3,4-thiadiazol-2-amine

C11H14N4OS — CID 96663796

IUPAC5-(aminomethyl)-N-(2-ethoxyphenyl)-1,3,4-thiadiazol-2-amine
SMILESCCOc1ccccc1Nc1nnc(CN)s1
InChIInChI=1S/C11H14N4OS/c1-2-16-9-6-4-3-5-8(9)13-11-15-14-10(7-12)17-11/h3-6H,2,7,12H2,1H3,(H,13,15)
InChIKeyCASYXBGILQRFMM-UHFFFAOYSA-N
MW250.33 g/mol
LogP2.14
Rot. Bonds5

About 5-(aminomethyl)-N-(2-ethoxyphenyl)-1,3,4-thiadiazol-2-amine

5-(aminomethyl)-N-(2-ethoxyphenyl)-1,3,4-thiadiazol-2-amine (PubChem CID 96663796) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2-ethoxyphenyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2-ethoxyphenyl)-1,3,4-thiadiazol-2-amine
PubChem CID96663796
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name5-(aminomethyl)-N-(2-ethoxyphenyl)-1,3,4-thiadiazol-2-amine
SMILESCCOc1ccccc1Nc1nnc(CN)s1
InChIInChI=1S/C11H14N4OS/c1-2-16-9-6-4-3-5-8(9)13-11-15-14-10(7-12)17-11/h3-6H,2,7,12H2,1H3,(H,13,15)
InChIKeyCASYXBGILQRFMM-UHFFFAOYSA-N
XLogP2.14
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(aminomethyl)-N-(2-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-amine
CID 96666799
2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 2402342
5-[2-(4-bromophenoxy)ethylsulfanyl]-N-(2-ethoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 3985934
2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzonitrile
CID 4270226
(2S)-2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]cyclopentan-1-one
CID 2678672
N-butyl-2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 2589197
2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-pyrimidin-2-ylpropanamide
CID 42931763
N-[4-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-methylacetamide
CID 55997391
2-amino-N-[5-[3-(2-ethoxyphenoxy)propyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 39177017
N-(2-ethoxyphenyl)-5-[[(2S)-oxan-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 2589170
2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(1S)-1-phenylethyl]acetamide
CID 2589299
5-(2-aminoethyl)-N-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 98017566

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2-ethoxyphenyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N-(2-ethoxyphenyl)-1,3,4-thiadiazol-2-amine (CID 96663796) is 5-(aminomethyl)-N-(2-ethoxyphenyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-(2-ethoxyphenyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-(2-ethoxyphenyl)-1,3,4-thiadiazol-2-amine is CCOc1ccccc1Nc1nnc(CN)s1.
What is the InChIKey of 5-(aminomethyl)-N-(2-ethoxyphenyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is CASYXBGILQRFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-2-16-9-6-4-3-5-8(9)13-11-15-14-10(7-12)17-11/h3-6H,2,7,12H2,1H3,(H,13,15).
What are the key properties of 5-(aminomethyl)-N-(2-ethoxyphenyl)-1,3,4-thiadiazol-2-amine?
5-(aminomethyl)-N-(2-ethoxyphenyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 250.33 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2-ethoxyphenyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 96663796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).