ethyl N-[2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]carbamate

C16H19N3O3S — CID 110351919

IUPACethyl N-[2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]carbamate
SMILESCCOC(=O)NCCc1csc(-c2ccc(NC(C)=O)cc2)n1
InChIInChI=1S/C16H19N3O3S/c1-3-22-16(21)17-9-8-14-10-23-15(19-14)12-4-6-13(7-5-12)18-11(2)20/h4-7,10H,3,8-9H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyVECRPLAGBMVHBS-UHFFFAOYSA-N
MW333.41 g/mol
LogP3.06
Rot. Bonds6

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

ethyl N-[2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]carbamate (PubChem CID 110351919) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is ethyl N-[2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]carbamate
PubChem CID110351919
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Nameethyl N-[2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]carbamate
SMILESCCOC(=O)NCCc1csc(-c2ccc(NC(C)=O)cc2)n1
InChIInChI=1S/C16H19N3O3S/c1-3-22-16(21)17-9-8-14-10-23-15(19-14)12-4-6-13(7-5-12)18-11(2)20/h4-7,10H,3,8-9H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyVECRPLAGBMVHBS-UHFFFAOYSA-N
XLogP3.06
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]acetamide
CID 110351882
ethyl N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]carbamate
CID 110317496
N-[2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide
CID 110351886
N'-(4-methylphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide
CID 7287534
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-(4-methylphenyl)oxamide
CID 7216639
ethyl 2-oxo-2-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethylamino]acetate
CID 7163682
4-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazol-2-yl]benzoic acid
CID 83526215
4-methyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7287432
2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]-N-(3-methoxypropyl)acetamide
CID 110342181
1,1-dimethyl-3-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]urea
CID 110317361
N-[4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]phenyl]acetamide
CID 4789560
ethyl 4-[3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propanoylamino]benzoate
CID 110333071

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]carbamate?
The IUPAC name of ethyl N-[2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]carbamate (CID 110351919) is ethyl N-[2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]carbamate?
The canonical SMILES for ethyl N-[2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]carbamate is CCOC(=O)NCCc1csc(-c2ccc(NC(C)=O)cc2)n1.
What is the InChIKey of ethyl N-[2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]carbamate?
The InChIKey is VECRPLAGBMVHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-3-22-16(21)17-9-8-14-10-23-15(19-14)12-4-6-13(7-5-12)18-11(2)20/h4-7,10H,3,8-9H2,1-2H3,(H,17,21)(H,18,20).
What are the key properties of ethyl N-[2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]carbamate?
ethyl N-[2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]carbamate has a molecular weight of 333.41 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]carbamate is sourced from PubChem (CID 110351919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).