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

C14H15N3O3S — CID 651380

IUPACbenzyl N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamate
SMILESCc1csc(NC(=O)CNC(=O)OCc2ccccc2)n1
InChIInChI=1S/C14H15N3O3S/c1-10-9-21-13(16-10)17-12(18)7-15-14(19)20-8-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,15,19)(H,16,17,18)
InChIKeyPPXZCVALPBFDBZ-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.32
Rot. Bonds5

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

benzyl N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamate (PubChem CID 651380) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is benzyl N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamate
PubChem CID651380
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Namebenzyl N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamate
SMILESCc1csc(NC(=O)CNC(=O)OCc2ccccc2)n1
InChIInChI=1S/C14H15N3O3S/c1-10-9-21-13(16-10)17-12(18)7-15-14(19)20-8-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,15,19)(H,16,17,18)
InChIKeyPPXZCVALPBFDBZ-UHFFFAOYSA-N
XLogP2.32
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamate?
The IUPAC name of benzyl N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamate (CID 651380) is benzyl N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamate.
What is the SMILES notation for benzyl N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamate?
The canonical SMILES for benzyl N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamate is Cc1csc(NC(=O)CNC(=O)OCc2ccccc2)n1.
What is the InChIKey of benzyl N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamate?
The InChIKey is PPXZCVALPBFDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-10-9-21-13(16-10)17-12(18)7-15-14(19)20-8-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,15,19)(H,16,17,18).
What are the key properties of benzyl N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamate?
benzyl N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamate has a molecular weight of 305.36 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 651380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).