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

C23H27N3O2S — CID 108748714

IUPAC2-ethylhexyl N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]carbamate
SMILESCCCCC(CC)COC(=O)Nc1cccc(-c2csc(-c3ccncc3)n2)c1
InChIInChI=1S/C23H27N3O2S/c1-3-5-7-17(4-2)15-28-23(27)25-20-9-6-8-19(14-20)21-16-29-22(26-21)18-10-12-24-13-11-18/h6,8-14,16-17H,3-5,7,15H2,1-2H3,(H,25,27)
InChIKeyUIPSFRAMLONIFX-UHFFFAOYSA-N
MW409.56 g/mol
LogP6.64
Rot. Bonds9

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

2-ethylhexyl N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]carbamate (PubChem CID 108748714) has the molecular formula C23H27N3O2S and a molecular weight of 409.56 g/mol. Its IUPAC name is 2-ethylhexyl N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]carbamate.

Molecular Properties

Compound Name2-ethylhexyl N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]carbamate
PubChem CID108748714
Molecular FormulaC23H27N3O2S
Molecular Weight409.56 g/mol
Exact Mass409.18
IUPAC Name2-ethylhexyl N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]carbamate
SMILESCCCCC(CC)COC(=O)Nc1cccc(-c2csc(-c3ccncc3)n2)c1
InChIInChI=1S/C23H27N3O2S/c1-3-5-7-17(4-2)15-28-23(27)25-20-9-6-8-19(14-20)21-16-29-22(26-21)18-10-12-24-13-11-18/h6,8-14,16-17H,3-5,7,15H2,1-2H3,(H,25,27)
InChIKeyUIPSFRAMLONIFX-UHFFFAOYSA-N
XLogP6.64
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.56
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethylhexyl N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]carbamate
CID 108748322
2-methyl-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108748693
2-methylpropyl N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]carbamate
CID 108748316
2,6-dimethoxy-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108770580
3,4,5-triethoxy-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108770590
N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]naphthalene-1-carboxamide
CID 108770678
2-ethylhexyl N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]carbamate
CID 108731081
2-ethylhexyl N-naphthalen-1-ylcarbamate
CID 15066270
3-phenoxy-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108748690
2-ethylhexyl N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]carbamate
CID 108725456
3-(4-chlorophenyl)-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108748675
[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)phenyl]thiourea
CID 169358392

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]carbamate?
The IUPAC name of 2-ethylhexyl N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]carbamate (CID 108748714) is 2-ethylhexyl N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]carbamate.
What is the SMILES notation for 2-ethylhexyl N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]carbamate?
The canonical SMILES for 2-ethylhexyl N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]carbamate is CCCCC(CC)COC(=O)Nc1cccc(-c2csc(-c3ccncc3)n2)c1.
What is the InChIKey of 2-ethylhexyl N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]carbamate?
The InChIKey is UIPSFRAMLONIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2S/c1-3-5-7-17(4-2)15-28-23(27)25-20-9-6-8-19(14-20)21-16-29-22(26-21)18-10-12-24-13-11-18/h6,8-14,16-17H,3-5,7,15H2,1-2H3,(H,25,27).
What are the key properties of 2-ethylhexyl N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]carbamate?
2-ethylhexyl N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]carbamate has a molecular weight of 409.56 g/mol, XLogP of 6.64, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]carbamate is sourced from PubChem (CID 108748714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).