methyl N-[4-[2-(2-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate

C14H15N3O4S — CID 16883787

IUPACmethyl N-[4-[2-(2-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
SMILESCOC(=O)Nc1nc(CC(=O)Nc2ccccc2OC)cs1
InChIInChI=1S/C14H15N3O4S/c1-20-11-6-4-3-5-10(11)16-12(18)7-9-8-22-13(15-9)17-14(19)21-2/h3-6,8H,7H2,1-2H3,(H,16,18)(H,15,17,19)
InChIKeyMKYJWOQVOTTWMP-UHFFFAOYSA-N
MW321.36 g/mol
LogP2.51
Rot. Bonds5

About methyl N-[4-[2-(2-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate

methyl N-[4-[2-(2-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate (PubChem CID 16883787) has the molecular formula C14H15N3O4S and a molecular weight of 321.36 g/mol. Its IUPAC name is methyl N-[4-[2-(2-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[2-(2-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
PubChem CID16883787
Molecular FormulaC14H15N3O4S
Molecular Weight321.36 g/mol
Exact Mass321.08
IUPAC Namemethyl N-[4-[2-(2-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
SMILESCOC(=O)Nc1nc(CC(=O)Nc2ccccc2OC)cs1
InChIInChI=1S/C14H15N3O4S/c1-20-11-6-4-3-5-10(11)16-12(18)7-9-8-22-13(15-9)17-14(19)21-2/h3-6,8H,7H2,1-2H3,(H,16,18)(H,15,17,19)
InChIKeyMKYJWOQVOTTWMP-UHFFFAOYSA-N
XLogP2.51
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[2-(2-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate?
The IUPAC name of methyl N-[4-[2-(2-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate (CID 16883787) is methyl N-[4-[2-(2-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for methyl N-[4-[2-(2-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for methyl N-[4-[2-(2-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate is COC(=O)Nc1nc(CC(=O)Nc2ccccc2OC)cs1.
What is the InChIKey of methyl N-[4-[2-(2-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate?
The InChIKey is MKYJWOQVOTTWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4S/c1-20-11-6-4-3-5-10(11)16-12(18)7-9-8-22-13(15-9)17-14(19)21-2/h3-6,8H,7H2,1-2H3,(H,16,18)(H,15,17,19).
What are the key properties of methyl N-[4-[2-(2-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate?
methyl N-[4-[2-(2-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate has a molecular weight of 321.36 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[2-(2-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 16883787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).