2-ethylhexyl N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]carbamate

C24H27ClN2O2S — CID 108748322

IUPAC2-ethylhexyl N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]carbamate
SMILESCCCCC(CC)COC(=O)Nc1cccc(-c2csc(-c3ccccc3Cl)n2)c1
InChIInChI=1S/C24H27ClN2O2S/c1-3-5-9-17(4-2)15-29-24(28)26-19-11-8-10-18(14-19)22-16-30-23(27-22)20-12-6-7-13-21(20)25/h6-8,10-14,16-17H,3-5,9,15H2,1-2H3,(H,26,28)
InChIKeySWOANSHWRYRHGG-UHFFFAOYSA-N
MW443.01 g/mol
LogP7.90
Rot. Bonds9

About 2-ethylhexyl N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]carbamate

2-ethylhexyl N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]carbamate (PubChem CID 108748322) has the molecular formula C24H27ClN2O2S and a molecular weight of 443.01 g/mol. Its IUPAC name is 2-ethylhexyl N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]carbamate.

Molecular Properties

Compound Name2-ethylhexyl N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]carbamate
PubChem CID108748322
Molecular FormulaC24H27ClN2O2S
Molecular Weight443.01 g/mol
Exact Mass442.15
IUPAC Name2-ethylhexyl N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]carbamate
SMILESCCCCC(CC)COC(=O)Nc1cccc(-c2csc(-c3ccccc3Cl)n2)c1
InChIInChI=1S/C24H27ClN2O2S/c1-3-5-9-17(4-2)15-29-24(28)26-19-11-8-10-18(14-19)22-16-30-23(27-22)20-12-6-7-13-21(20)25/h6-8,10-14,16-17H,3-5,9,15H2,1-2H3,(H,26,28)
InChIKeySWOANSHWRYRHGG-UHFFFAOYSA-N
XLogP7.90
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.01
LogP ≤ 57.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethylhexyl N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]carbamate
CID 108748714
2-methylpropyl N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]carbamate
CID 108748316
2-bromo-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]butanamide
CID 108748311
2-chloro-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]benzamide
CID 108770274
N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]butane-1-sulfonamide
CID 108784185
N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2-(2,4-dimethylphenoxy)acetamide
CID 108770278
2,4-dichloro-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]benzamide
CID 108748313
[3-[[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]carbamoyl]phenyl] acetate
CID 108770246
N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 108748350
2-ethylhexyl N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]carbamate
CID 108731081
N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-cyanobenzamide
CID 108748379
(Z)-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2,3-diphenylprop-2-enamide
CID 108770304

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]carbamate?
The IUPAC name of 2-ethylhexyl N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]carbamate (CID 108748322) is 2-ethylhexyl N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]carbamate.
What is the SMILES notation for 2-ethylhexyl N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]carbamate?
The canonical SMILES for 2-ethylhexyl N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]carbamate is CCCCC(CC)COC(=O)Nc1cccc(-c2csc(-c3ccccc3Cl)n2)c1.
What is the InChIKey of 2-ethylhexyl N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]carbamate?
The InChIKey is SWOANSHWRYRHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN2O2S/c1-3-5-9-17(4-2)15-29-24(28)26-19-11-8-10-18(14-19)22-16-30-23(27-22)20-12-6-7-13-21(20)25/h6-8,10-14,16-17H,3-5,9,15H2,1-2H3,(H,26,28).
What are the key properties of 2-ethylhexyl N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]carbamate?
2-ethylhexyl N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]carbamate has a molecular weight of 443.01 g/mol, XLogP of 7.90, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]carbamate is sourced from PubChem (CID 108748322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).