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

C15H18N4O3S — CID 95979285

IUPACethyl N-[4-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]carbamoylamino]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NC(=O)N[C@@H](C)c2nccs2)cc1
InChIInChI=1S/C15H18N4O3S/c1-3-22-15(21)19-12-6-4-11(5-7-12)18-14(20)17-10(2)13-16-8-9-23-13/h4-10H,3H2,1-2H3,(H,19,21)(H2,17,18,20)/t10-/m0/s1
InChIKeyJSEQLPZIRRACBQ-JTQLQIEISA-N
MW334.40 g/mol
LogP3.59
Rot. Bonds5

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

ethyl N-[4-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]carbamoylamino]phenyl]carbamate (PubChem CID 95979285) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is ethyl N-[4-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]carbamoylamino]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]carbamoylamino]phenyl]carbamate
PubChem CID95979285
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Nameethyl N-[4-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]carbamoylamino]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NC(=O)N[C@@H](C)c2nccs2)cc1
InChIInChI=1S/C15H18N4O3S/c1-3-22-15(21)19-12-6-4-11(5-7-12)18-14(20)17-10(2)13-16-8-9-23-13/h4-10H,3H2,1-2H3,(H,19,21)(H2,17,18,20)/t10-/m0/s1
InChIKeyJSEQLPZIRRACBQ-JTQLQIEISA-N
XLogP3.59
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze ethyl N-[4-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]carbamoylamino]phenyl]carbamate with MolForge

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Related Compounds

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1-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea
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methyl 2-oxo-2-[1-(1,3-thiazol-2-yl)ethylamino]acetate
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ethyl 2-(1,3-thiazol-2-yl)propanoate
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1-[4-[(2S)-2-methylmorpholin-4-yl]phenyl]-3-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea
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2-hydroxy-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
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1-(4-ethoxyphenyl)-3-[(1S)-1-pyridin-4-ylethyl]urea
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2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]propanamide
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2-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]propanamide
CID 144903789
N-[4-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamoylamino]phenyl]propanamide
CID 95311131
ethyl 2-[4-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethylcarbamoylamino]phenyl]acetate
CID 118788083

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]carbamoylamino]phenyl]carbamate?
The IUPAC name of ethyl N-[4-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]carbamoylamino]phenyl]carbamate (CID 95979285) is ethyl N-[4-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]carbamoylamino]phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]carbamoylamino]phenyl]carbamate?
The canonical SMILES for ethyl N-[4-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]carbamoylamino]phenyl]carbamate is CCOC(=O)Nc1ccc(NC(=O)N[C@@H](C)c2nccs2)cc1.
What is the InChIKey of ethyl N-[4-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]carbamoylamino]phenyl]carbamate?
The InChIKey is JSEQLPZIRRACBQ-JTQLQIEISA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-3-22-15(21)19-12-6-4-11(5-7-12)18-14(20)17-10(2)13-16-8-9-23-13/h4-10H,3H2,1-2H3,(H,19,21)(H2,17,18,20)/t10-/m0/s1.
What are the key properties of ethyl N-[4-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]carbamoylamino]phenyl]carbamate?
ethyl N-[4-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]carbamoylamino]phenyl]carbamate has a molecular weight of 334.40 g/mol, XLogP of 3.59, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]carbamoylamino]phenyl]carbamate is sourced from PubChem (CID 95979285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).