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

C20H19ClN2O2S — CID 108748316

IUPAC2-methylpropyl N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]carbamate
SMILESCC(C)COC(=O)Nc1cccc(-c2csc(-c3ccccc3Cl)n2)c1
InChIInChI=1S/C20H19ClN2O2S/c1-13(2)11-25-20(24)22-15-7-5-6-14(10-15)18-12-26-19(23-18)16-8-3-4-9-17(16)21/h3-10,12-13H,11H2,1-2H3,(H,22,24)
InChIKeyPOZCTEYSCDUYAW-UHFFFAOYSA-N
MW386.90 g/mol
LogP6.34
Rot. Bonds5

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

2-methylpropyl N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]carbamate (PubChem CID 108748316) has the molecular formula C20H19ClN2O2S and a molecular weight of 386.90 g/mol. Its IUPAC name is 2-methylpropyl N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]carbamate
PubChem CID108748316
Molecular FormulaC20H19ClN2O2S
Molecular Weight386.90 g/mol
Exact Mass386.09
IUPAC Name2-methylpropyl N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]carbamate
SMILESCC(C)COC(=O)Nc1cccc(-c2csc(-c3ccccc3Cl)n2)c1
InChIInChI=1S/C20H19ClN2O2S/c1-13(2)11-25-20(24)22-15-7-5-6-14(10-15)18-12-26-19(23-18)16-8-3-4-9-17(16)21/h3-10,12-13H,11H2,1-2H3,(H,22,24)
InChIKeyPOZCTEYSCDUYAW-UHFFFAOYSA-N
XLogP6.34
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.90
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethylhexyl N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]carbamate
CID 108748322
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]-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-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]carbamate
CID 108748714
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
N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]butane-1-sulfonamide
CID 108784185
1-(2-chlorophenyl)-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 121086468

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]carbamate?
The IUPAC name of 2-methylpropyl N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]carbamate (CID 108748316) is 2-methylpropyl N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]carbamate?
The canonical SMILES for 2-methylpropyl N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]carbamate is CC(C)COC(=O)Nc1cccc(-c2csc(-c3ccccc3Cl)n2)c1.
What is the InChIKey of 2-methylpropyl N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]carbamate?
The InChIKey is POZCTEYSCDUYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2S/c1-13(2)11-25-20(24)22-15-7-5-6-14(10-15)18-12-26-19(23-18)16-8-3-4-9-17(16)21/h3-10,12-13H,11H2,1-2H3,(H,22,24).
What are the key properties of 2-methylpropyl N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]carbamate?
2-methylpropyl N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]carbamate has a molecular weight of 386.90 g/mol, XLogP of 6.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]carbamate is sourced from PubChem (CID 108748316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).