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

C15H17N3O3S — CID 108739772

IUPACethyl N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]carbamate
SMILESCCOC(=O)Nc1nc(-c2ccc(CNC(C)=O)cc2)cs1
InChIInChI=1S/C15H17N3O3S/c1-3-21-15(20)18-14-17-13(9-22-14)12-6-4-11(5-7-12)8-16-10(2)19/h4-7,9H,3,8H2,1-2H3,(H,16,19)(H,17,18,20)
InChIKeyJNGJNMWJCUCPFR-UHFFFAOYSA-N
MW319.39 g/mol
LogP3.01
Rot. Bonds5

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

ethyl N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]carbamate (PubChem CID 108739772) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is ethyl N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]carbamate
PubChem CID108739772
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Nameethyl N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]carbamate
SMILESCCOC(=O)Nc1nc(-c2ccc(CNC(C)=O)cc2)cs1
InChIInChI=1S/C15H17N3O3S/c1-3-21-15(20)18-14-17-13(9-22-14)12-6-4-11(5-7-12)8-16-10(2)19/h4-7,9H,3,8H2,1-2H3,(H,16,19)(H,17,18,20)
InChIKeyJNGJNMWJCUCPFR-UHFFFAOYSA-N
XLogP3.01
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamate
CID 3624682
4-(acetamidomethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 46820023
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide
CID 108762412
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2-phenylacetamide
CID 108762419
4-(acetamidomethyl)-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]benzamide
CID 46629026
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(4-methylphenoxy)propanamide
CID 31893475
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-4-chlorobenzamide
CID 42568023
[4-[[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate
CID 108739741
N-[2-[[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-chlorobenzamide
CID 108762417
N-[[4-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 9343440
1-[(4-methylphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
CID 87405083
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-1,1-dioxothiolane-3-carboxamide
CID 16566655

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]carbamate?
The IUPAC name of ethyl N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]carbamate (CID 108739772) is ethyl N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for ethyl N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for ethyl N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]carbamate is CCOC(=O)Nc1nc(-c2ccc(CNC(C)=O)cc2)cs1.
What is the InChIKey of ethyl N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]carbamate?
The InChIKey is JNGJNMWJCUCPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-3-21-15(20)18-14-17-13(9-22-14)12-6-4-11(5-7-12)8-16-10(2)19/h4-7,9H,3,8H2,1-2H3,(H,16,19)(H,17,18,20).
What are the key properties of ethyl N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]carbamate?
ethyl N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]carbamate has a molecular weight of 319.39 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 108739772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).