[2-(cyclohexylamino)-2-oxoethyl] 4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate

C19H28N4O4S — CID 651494

IUPAC[2-(cyclohexylamino)-2-oxoethyl] 4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate
SMILESNc1c(C(=O)NC2CCCCC2)nsc1C(=O)OCC(=O)NC1CCCCC1
InChIInChI=1S/C19H28N4O4S/c20-15-16(18(25)22-13-9-5-2-6-10-13)23-28-17(15)19(26)27-11-14(24)21-12-7-3-1-4-8-12/h12-13H,1-11,20H2,(H,21,24)(H,22,25)
InChIKeyPWTYGDOFAUBOTG-UHFFFAOYSA-N
MW408.52 g/mol
LogP2.39
Rot. Bonds6

About [2-(cyclohexylamino)-2-oxoethyl] 4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate

[2-(cyclohexylamino)-2-oxoethyl] 4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate (PubChem CID 651494) has the molecular formula C19H28N4O4S and a molecular weight of 408.52 g/mol. Its IUPAC name is [2-(cyclohexylamino)-2-oxoethyl] 4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate.

Molecular Properties

Compound Name[2-(cyclohexylamino)-2-oxoethyl] 4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate
PubChem CID651494
Molecular FormulaC19H28N4O4S
Molecular Weight408.52 g/mol
Exact Mass408.18
IUPAC Name[2-(cyclohexylamino)-2-oxoethyl] 4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate
SMILESNc1c(C(=O)NC2CCCCC2)nsc1C(=O)OCC(=O)NC1CCCCC1
InChIInChI=1S/C19H28N4O4S/c20-15-16(18(25)22-13-9-5-2-6-10-13)23-28-17(15)19(26)27-11-14(24)21-12-7-3-1-4-8-12/h12-13H,1-11,20H2,(H,21,24)(H,22,25)
InChIKeyPWTYGDOFAUBOTG-UHFFFAOYSA-N
XLogP2.39
TPSA123.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [2-(cyclohexylamino)-2-oxoethyl] 4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate?
The IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate (CID 651494) is [2-(cyclohexylamino)-2-oxoethyl] 4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate.
What is the SMILES notation for [2-(cyclohexylamino)-2-oxoethyl] 4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate?
The canonical SMILES for [2-(cyclohexylamino)-2-oxoethyl] 4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate is Nc1c(C(=O)NC2CCCCC2)nsc1C(=O)OCC(=O)NC1CCCCC1.
What is the InChIKey of [2-(cyclohexylamino)-2-oxoethyl] 4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate?
The InChIKey is PWTYGDOFAUBOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O4S/c20-15-16(18(25)22-13-9-5-2-6-10-13)23-28-17(15)19(26)27-11-14(24)21-12-7-3-1-4-8-12/h12-13H,1-11,20H2,(H,21,24)(H,22,25).
What are the key properties of [2-(cyclohexylamino)-2-oxoethyl] 4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate?
[2-(cyclohexylamino)-2-oxoethyl] 4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate has a molecular weight of 408.52 g/mol, XLogP of 2.39, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylamino)-2-oxoethyl] 4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate is sourced from PubChem (CID 651494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).