methyl 5-acetyl-2-[(3-ethylcyclohexyl)amino]-1,3-thiazole-4-carboxylate

C15H22N2O3S — CID 106697750

IUPACmethyl 5-acetyl-2-[(3-ethylcyclohexyl)amino]-1,3-thiazole-4-carboxylate
SMILESCCC1CCCC(Nc2nc(C(=O)OC)c(C(C)=O)s2)C1
InChIInChI=1S/C15H22N2O3S/c1-4-10-6-5-7-11(8-10)16-15-17-12(14(19)20-3)13(21-15)9(2)18/h10-11H,4-8H2,1-3H3,(H,16,17)
InChIKeyXGKGCDZFAOTAQV-UHFFFAOYSA-N
MW310.42 g/mol
LogP3.51
Rot. Bonds5

About methyl 5-acetyl-2-[(3-ethylcyclohexyl)amino]-1,3-thiazole-4-carboxylate

methyl 5-acetyl-2-[(3-ethylcyclohexyl)amino]-1,3-thiazole-4-carboxylate (PubChem CID 106697750) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is methyl 5-acetyl-2-[(3-ethylcyclohexyl)amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-acetyl-2-[(3-ethylcyclohexyl)amino]-1,3-thiazole-4-carboxylate
PubChem CID106697750
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Namemethyl 5-acetyl-2-[(3-ethylcyclohexyl)amino]-1,3-thiazole-4-carboxylate
SMILESCCC1CCCC(Nc2nc(C(=O)OC)c(C(C)=O)s2)C1
InChIInChI=1S/C15H22N2O3S/c1-4-10-6-5-7-11(8-10)16-15-17-12(14(19)20-3)13(21-15)9(2)18/h10-11H,4-8H2,1-3H3,(H,16,17)
InChIKeyXGKGCDZFAOTAQV-UHFFFAOYSA-N
XLogP3.51
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 5-acetyl-2-[(3-ethylcyclohexyl)amino]-1,3-thiazole-4-carboxylate with MolForge

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Related Compounds

methyl 5-acetyl-2-(cycloheptylamino)-1,3-thiazole-4-carboxylate
CID 106696946
methyl 2-[(3-ethylcyclohexyl)amino]-1,3-thiazole-5-carboxylate
CID 80572945
methyl 5-acetyl-2-[(2,4-dimethylcyclohexyl)amino]-1,3-thiazole-4-carboxylate
CID 106697683
methyl 5-acetyl-2-[(1-cyclopropylpyrrolidin-3-yl)amino]-1,3-thiazole-4-carboxylate
CID 106697270
methyl 4-[(3-ethylcyclohexyl)amino]pyrimidine-2-carboxylate
CID 66287288
methyl 4-chloro-2-[(3-ethylsulfinylcyclohexyl)amino]-1,3-thiazole-5-carboxylate
CID 133338018
methyl 5-acetyl-2-[(2-methoxy-2-oxoethyl)amino]-1,3-thiazole-4-carboxylate
CID 106696783
methyl 4-[(3-ethylcyclohexyl)amino]pyridine-2-carboxylate
CID 66287289
methyl 2-[(3-ethylcyclohexyl)amino]pyridine-4-carboxylate
CID 114075042
ethyl 4-amino-2-(cyclobutylamino)-1,3-thiazole-5-carboxylate
CID 116674025
methyl 5-acetyl-2-(2,2-dimethylpropyl)-1,3-thiazole-4-carboxylate
CID 106696519
methyl 2-(2-acetamidoethylamino)-5-acetyl-1,3-thiazole-4-carboxylate
CID 106697022

Frequently Asked Questions

What is the IUPAC name of methyl 5-acetyl-2-[(3-ethylcyclohexyl)amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-acetyl-2-[(3-ethylcyclohexyl)amino]-1,3-thiazole-4-carboxylate (CID 106697750) is methyl 5-acetyl-2-[(3-ethylcyclohexyl)amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-acetyl-2-[(3-ethylcyclohexyl)amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-acetyl-2-[(3-ethylcyclohexyl)amino]-1,3-thiazole-4-carboxylate is CCC1CCCC(Nc2nc(C(=O)OC)c(C(C)=O)s2)C1.
What is the InChIKey of methyl 5-acetyl-2-[(3-ethylcyclohexyl)amino]-1,3-thiazole-4-carboxylate?
The InChIKey is XGKGCDZFAOTAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-4-10-6-5-7-11(8-10)16-15-17-12(14(19)20-3)13(21-15)9(2)18/h10-11H,4-8H2,1-3H3,(H,16,17).
What are the key properties of methyl 5-acetyl-2-[(3-ethylcyclohexyl)amino]-1,3-thiazole-4-carboxylate?
methyl 5-acetyl-2-[(3-ethylcyclohexyl)amino]-1,3-thiazole-4-carboxylate has a molecular weight of 310.42 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-acetyl-2-[(3-ethylcyclohexyl)amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 106697750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).