(2-ethoxyphenyl)methyl N-[[4-(thiadiazol-4-yl)phenyl]methyl]carbamate

C19H19N3O3S — CID 6734267

IUPAC(2-ethoxyphenyl)methyl N-[[4-(thiadiazol-4-yl)phenyl]methyl]carbamate
SMILESCCOc1ccccc1COC(=O)NCc1ccc(-c2csnn2)cc1
InChIInChI=1S/C19H19N3O3S/c1-2-24-18-6-4-3-5-16(18)12-25-19(23)20-11-14-7-9-15(10-8-14)17-13-26-22-21-17/h3-10,13H,2,11-12H2,1H3,(H,20,23)
InChIKeyYWKSRRBISYXTSB-UHFFFAOYSA-N
MW369.45 g/mol
LogP4.03
Rot. Bonds7

About (2-ethoxyphenyl)methyl N-[[4-(thiadiazol-4-yl)phenyl]methyl]carbamate

(2-ethoxyphenyl)methyl N-[[4-(thiadiazol-4-yl)phenyl]methyl]carbamate (PubChem CID 6734267) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is (2-ethoxyphenyl)methyl N-[[4-(thiadiazol-4-yl)phenyl]methyl]carbamate.

Molecular Properties

Compound Name(2-ethoxyphenyl)methyl N-[[4-(thiadiazol-4-yl)phenyl]methyl]carbamate
PubChem CID6734267
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name(2-ethoxyphenyl)methyl N-[[4-(thiadiazol-4-yl)phenyl]methyl]carbamate
SMILESCCOc1ccccc1COC(=O)NCc1ccc(-c2csnn2)cc1
InChIInChI=1S/C19H19N3O3S/c1-2-24-18-6-4-3-5-16(18)12-25-19(23)20-11-14-7-9-15(10-8-14)17-13-26-22-21-17/h3-10,13H,2,11-12H2,1H3,(H,20,23)
InChIKeyYWKSRRBISYXTSB-UHFFFAOYSA-N
XLogP4.03
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,6-diethylphenyl)-3-[[4-(thiadiazol-4-yl)phenyl]methyl]thiourea
CID 4670050
ethyl N-[(4-phenylphenyl)methyl]carbamate
CID 90935573
1-[(2-ethoxyphenyl)methyl]-3-(pyridin-4-ylmethyl)urea
CID 60569628
(2-ethoxyphenyl)methyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 9135787
1-[2-(2-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea
CID 3255337
benzene;ethyl N-benzylcarbamate
CID 67715166
ethyl 4-[[[N-[(2-ethoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]benzoate;hydroiodide
CID 111880652
butyl N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]carbamate
CID 108739666
1-[2-hydroxy-5-[2-[[4-(thiadiazol-4-yl)phenyl]methoxy]phenyl]pentyl]imidazole-4-carboxamide
CID 22391727
1-phenyl-2-[[4-(thiadiazol-4-yl)phenyl]methyl]hydrazine
CID 169386844
2-[3-[4-ethoxy-3-[[(4-ethylphenyl)methoxycarbonylamino]methyl]phenyl]phenyl]acetic acid
CID 59219150
2-[2-(aminomethyl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 16795293

Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl)methyl N-[[4-(thiadiazol-4-yl)phenyl]methyl]carbamate?
The IUPAC name of (2-ethoxyphenyl)methyl N-[[4-(thiadiazol-4-yl)phenyl]methyl]carbamate (CID 6734267) is (2-ethoxyphenyl)methyl N-[[4-(thiadiazol-4-yl)phenyl]methyl]carbamate.
What is the SMILES notation for (2-ethoxyphenyl)methyl N-[[4-(thiadiazol-4-yl)phenyl]methyl]carbamate?
The canonical SMILES for (2-ethoxyphenyl)methyl N-[[4-(thiadiazol-4-yl)phenyl]methyl]carbamate is CCOc1ccccc1COC(=O)NCc1ccc(-c2csnn2)cc1.
What is the InChIKey of (2-ethoxyphenyl)methyl N-[[4-(thiadiazol-4-yl)phenyl]methyl]carbamate?
The InChIKey is YWKSRRBISYXTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-2-24-18-6-4-3-5-16(18)12-25-19(23)20-11-14-7-9-15(10-8-14)17-13-26-22-21-17/h3-10,13H,2,11-12H2,1H3,(H,20,23).
What are the key properties of (2-ethoxyphenyl)methyl N-[[4-(thiadiazol-4-yl)phenyl]methyl]carbamate?
(2-ethoxyphenyl)methyl N-[[4-(thiadiazol-4-yl)phenyl]methyl]carbamate has a molecular weight of 369.45 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl)methyl N-[[4-(thiadiazol-4-yl)phenyl]methyl]carbamate is sourced from PubChem (CID 6734267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).