benzyl N-[2-oxo-2-[4-(2-phenyl-1,3-thiazol-4-yl)anilino]ethyl]carbamate

C25H21N3O3S — CID 58874869

IUPACbenzyl N-[2-oxo-2-[4-(2-phenyl-1,3-thiazol-4-yl)anilino]ethyl]carbamate
SMILESO=C(CNC(=O)OCc1ccccc1)Nc1ccc(-c2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C25H21N3O3S/c29-23(15-26-25(30)31-16-18-7-3-1-4-8-18)27-21-13-11-19(12-14-21)22-17-32-24(28-22)20-9-5-2-6-10-20/h1-14,17H,15-16H2,(H,26,30)(H,27,29)
InChIKeyVWUBEZDNQOCQQF-UHFFFAOYSA-N
MW443.53 g/mol
LogP5.34
Rot. Bonds7

About benzyl N-[2-oxo-2-[4-(2-phenyl-1,3-thiazol-4-yl)anilino]ethyl]carbamate

benzyl N-[2-oxo-2-[4-(2-phenyl-1,3-thiazol-4-yl)anilino]ethyl]carbamate (PubChem CID 58874869) has the molecular formula C25H21N3O3S and a molecular weight of 443.53 g/mol. Its IUPAC name is benzyl N-[2-oxo-2-[4-(2-phenyl-1,3-thiazol-4-yl)anilino]ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-oxo-2-[4-(2-phenyl-1,3-thiazol-4-yl)anilino]ethyl]carbamate
PubChem CID58874869
Molecular FormulaC25H21N3O3S
Molecular Weight443.53 g/mol
Exact Mass443.13
IUPAC Namebenzyl N-[2-oxo-2-[4-(2-phenyl-1,3-thiazol-4-yl)anilino]ethyl]carbamate
SMILESO=C(CNC(=O)OCc1ccccc1)Nc1ccc(-c2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C25H21N3O3S/c29-23(15-26-25(30)31-16-18-7-3-1-4-8-18)27-21-13-11-19(12-14-21)22-17-32-24(28-22)20-9-5-2-6-10-20/h1-14,17H,15-16H2,(H,26,30)(H,27,29)
InChIKeyVWUBEZDNQOCQQF-UHFFFAOYSA-N
XLogP5.34
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.53
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-[2-(4-methoxyanilino)-2-oxoethyl]carbamate
CID 60596184
2-(4-methoxyphenyl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 2978424
benzyl N-[3-oxo-3-(4-phenylanilino)propyl]carbamate
CID 126005165
4-(4-methylphenyl)-4-oxo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 108727454
chloromethyl 4-[[2-(phenylmethoxycarbonylamino)acetyl]amino]benzoate
CID 70183843
ethyl N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]carbamate
CID 108738545
N'-(4-fluorophenyl)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]butanediamide
CID 108762347
methyl N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]carbamate
CID 47299409
1-(4-chlorophenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 108780501
benzyl N-[(2R)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]carbamate
CID 1103584
4-(4-methoxyphenyl)-4-oxo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 108727456
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-phenylpropanamide
CID 28865127

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-oxo-2-[4-(2-phenyl-1,3-thiazol-4-yl)anilino]ethyl]carbamate?
The IUPAC name of benzyl N-[2-oxo-2-[4-(2-phenyl-1,3-thiazol-4-yl)anilino]ethyl]carbamate (CID 58874869) is benzyl N-[2-oxo-2-[4-(2-phenyl-1,3-thiazol-4-yl)anilino]ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-oxo-2-[4-(2-phenyl-1,3-thiazol-4-yl)anilino]ethyl]carbamate?
The canonical SMILES for benzyl N-[2-oxo-2-[4-(2-phenyl-1,3-thiazol-4-yl)anilino]ethyl]carbamate is O=C(CNC(=O)OCc1ccccc1)Nc1ccc(-c2csc(-c3ccccc3)n2)cc1.
What is the InChIKey of benzyl N-[2-oxo-2-[4-(2-phenyl-1,3-thiazol-4-yl)anilino]ethyl]carbamate?
The InChIKey is VWUBEZDNQOCQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3S/c29-23(15-26-25(30)31-16-18-7-3-1-4-8-18)27-21-13-11-19(12-14-21)22-17-32-24(28-22)20-9-5-2-6-10-20/h1-14,17H,15-16H2,(H,26,30)(H,27,29).
What are the key properties of benzyl N-[2-oxo-2-[4-(2-phenyl-1,3-thiazol-4-yl)anilino]ethyl]carbamate?
benzyl N-[2-oxo-2-[4-(2-phenyl-1,3-thiazol-4-yl)anilino]ethyl]carbamate has a molecular weight of 443.53 g/mol, XLogP of 5.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-oxo-2-[4-(2-phenyl-1,3-thiazol-4-yl)anilino]ethyl]carbamate is sourced from PubChem (CID 58874869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).