ethyl 5-methyl-2-[(2-methylcycloheptyl)amino]-1,3-thiazole-4-carboxylate

C15H24N2O2S — CID 116526955

IUPACethyl 5-methyl-2-[(2-methylcycloheptyl)amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(NC2CCCCCC2C)sc1C
InChIInChI=1S/C15H24N2O2S/c1-4-19-14(18)13-11(3)20-15(17-13)16-12-9-7-5-6-8-10(12)2/h10,12H,4-9H2,1-3H3,(H,16,17)
InChIKeyANSAQEBQVANLIO-UHFFFAOYSA-N
MW296.44 g/mol
LogP4.01
Rot. Bonds4

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

ethyl 5-methyl-2-[(2-methylcycloheptyl)amino]-1,3-thiazole-4-carboxylate (PubChem CID 116526955) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is ethyl 5-methyl-2-[(2-methylcycloheptyl)amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2-[(2-methylcycloheptyl)amino]-1,3-thiazole-4-carboxylate
PubChem CID116526955
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Nameethyl 5-methyl-2-[(2-methylcycloheptyl)amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(NC2CCCCCC2C)sc1C
InChIInChI=1S/C15H24N2O2S/c1-4-19-14(18)13-11(3)20-15(17-13)16-12-9-7-5-6-8-10(12)2/h10,12H,4-9H2,1-3H3,(H,16,17)
InChIKeyANSAQEBQVANLIO-UHFFFAOYSA-N
XLogP4.01
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

ethyl 2-(2-bicyclo[2.2.1]heptanylamino)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526948
ethyl 2-(cyclopropylmethylamino)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526353
ethyl 5-methyl-2-[(4-methylcyclohexyl)methylamino]-1,3-thiazole-4-carboxylate
CID 116526837
ethyl 2-[(1,2-dimethylpiperidin-4-yl)amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 116527037
ethyl 2-(tert-butylamino)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526343
ethyl 5-methyl-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1,3-thiazole-4-carboxylate
CID 106259396
ethyl 5-methyl-2-[methyl-(2-methylcyclohexyl)amino]-1,3-thiazole-4-carboxylate
CID 116526701
ethyl 5-methyl-2-[(1-methylpiperidin-2-yl)methylamino]-1,3-thiazole-4-carboxylate
CID 116526634
trans-(1R,3R)-3-[(4-ethoxycarbonyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 95389404
ethyl 3-[2-[(2-methylcyclohexyl)amino]-1,3-thiazol-4-yl]propanoate
CID 103485990
ethyl 2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 116526394
ethyl 2-[cyclohexyl(methoxy)methyl]-5-methyl-1,3-thiazole-4-carboxylate
CID 116744481

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-[(2-methylcycloheptyl)amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-methyl-2-[(2-methylcycloheptyl)amino]-1,3-thiazole-4-carboxylate (CID 116526955) is ethyl 5-methyl-2-[(2-methylcycloheptyl)amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2-[(2-methylcycloheptyl)amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-methyl-2-[(2-methylcycloheptyl)amino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(NC2CCCCCC2C)sc1C.
What is the InChIKey of ethyl 5-methyl-2-[(2-methylcycloheptyl)amino]-1,3-thiazole-4-carboxylate?
The InChIKey is ANSAQEBQVANLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-4-19-14(18)13-11(3)20-15(17-13)16-12-9-7-5-6-8-10(12)2/h10,12H,4-9H2,1-3H3,(H,16,17).
What are the key properties of ethyl 5-methyl-2-[(2-methylcycloheptyl)amino]-1,3-thiazole-4-carboxylate?
ethyl 5-methyl-2-[(2-methylcycloheptyl)amino]-1,3-thiazole-4-carboxylate has a molecular weight of 296.44 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2-[(2-methylcycloheptyl)amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 116526955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).