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

C21H30N2O2S — CID 108725456

IUPAC2-ethylhexyl N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]carbamate
SMILESCCCCC(CC)COC(=O)NCCc1ccc(-c2csc(C)n2)cc1
InChIInChI=1S/C21H30N2O2S/c1-4-6-7-17(5-2)14-25-21(24)22-13-12-18-8-10-19(11-9-18)20-15-26-16(3)23-20/h8-11,15,17H,4-7,12-14H2,1-3H3,(H,22,24)
InChIKeyWPEQEDOLBUHSAM-UHFFFAOYSA-N
MW374.55 g/mol
LogP5.60
Rot. Bonds10

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

2-ethylhexyl N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]carbamate (PubChem CID 108725456) has the molecular formula C21H30N2O2S and a molecular weight of 374.55 g/mol. Its IUPAC name is 2-ethylhexyl N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]carbamate.

Molecular Properties

Compound Name2-ethylhexyl N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]carbamate
PubChem CID108725456
Molecular FormulaC21H30N2O2S
Molecular Weight374.55 g/mol
Exact Mass374.20
IUPAC Name2-ethylhexyl N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]carbamate
SMILESCCCCC(CC)COC(=O)NCCc1ccc(-c2csc(C)n2)cc1
InChIInChI=1S/C21H30N2O2S/c1-4-6-7-17(5-2)14-25-21(24)22-13-12-18-8-10-19(11-9-18)20-15-26-16(3)23-20/h8-11,15,17H,4-7,12-14H2,1-3H3,(H,22,24)
InChIKeyWPEQEDOLBUHSAM-UHFFFAOYSA-N
XLogP5.60
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.55
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide
CID 51248570
3-amino-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide
CID 119308376
(2S)-2-amino-3,3-dimethyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide;dihydrochloride
CID 119837217
4-amino-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide;dihydrochloride
CID 119837231
3-[butyl(methyl)amino]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide
CID 108725486
2-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
CID 47121427
2-(2-methoxyethoxy)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
CID 108725440
4-ethyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 16568166
4-methoxy-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 55434098
2-(4-methoxyphenoxy)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide
CID 46509267
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide;hydrochloride
CID 52984164
3-chloro-2,2-dimethyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide
CID 108749621

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]carbamate?
The IUPAC name of 2-ethylhexyl N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]carbamate (CID 108725456) is 2-ethylhexyl N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]carbamate.
What is the SMILES notation for 2-ethylhexyl N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]carbamate?
The canonical SMILES for 2-ethylhexyl N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]carbamate is CCCCC(CC)COC(=O)NCCc1ccc(-c2csc(C)n2)cc1.
What is the InChIKey of 2-ethylhexyl N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]carbamate?
The InChIKey is WPEQEDOLBUHSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2S/c1-4-6-7-17(5-2)14-25-21(24)22-13-12-18-8-10-19(11-9-18)20-15-26-16(3)23-20/h8-11,15,17H,4-7,12-14H2,1-3H3,(H,22,24).
What are the key properties of 2-ethylhexyl N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]carbamate?
2-ethylhexyl N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]carbamate has a molecular weight of 374.55 g/mol, XLogP of 5.60, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]carbamate is sourced from PubChem (CID 108725456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).