methyl 5-amino-2-(cyclohexylmethyl)-1,3-thiazole-4-carboxylate

C12H18N2O2S — CID 103199691

IUPACmethyl 5-amino-2-(cyclohexylmethyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(CC2CCCCC2)sc1N
InChIInChI=1S/C12H18N2O2S/c1-16-12(15)10-11(13)17-9(14-10)7-8-5-3-2-4-6-8/h8H,2-7,13H2,1H3
InChIKeyXXNBEIVDBDSPRW-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.63
Rot. Bonds3

About methyl 5-amino-2-(cyclohexylmethyl)-1,3-thiazole-4-carboxylate

methyl 5-amino-2-(cyclohexylmethyl)-1,3-thiazole-4-carboxylate (PubChem CID 103199691) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is methyl 5-amino-2-(cyclohexylmethyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-2-(cyclohexylmethyl)-1,3-thiazole-4-carboxylate
PubChem CID103199691
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Namemethyl 5-amino-2-(cyclohexylmethyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(CC2CCCCC2)sc1N
InChIInChI=1S/C12H18N2O2S/c1-16-12(15)10-11(13)17-9(14-10)7-8-5-3-2-4-6-8/h8H,2-7,13H2,1H3
InChIKeyXXNBEIVDBDSPRW-UHFFFAOYSA-N
XLogP2.63
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Amino-2-(2-methoxy-ethyl)-thiazole-4-carboxylic acid ethyl ester
CID 68407298
Methyl 5-amino-2-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxylate
CID 103199614
Methyl 5-amino-2-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxylate
CID 103199695
Methyl 5-amino-2-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxylate
CID 103199779
5-Amino-2-(4,4-difluorocyclohexyl)-1,3-thiazole-4-carboxylic acid
CID 103200018
Methyl 5-amino-2-(4,4-difluorocyclohexyl)-1,3-thiazole-4-carboxylate
CID 113787139
5-Amino-2-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxylic acid
CID 113787158
5-Amino-2-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxylic acid
CID 113787170
Methyl 5-amino-2-(2-fluoro-1-methylcyclopropyl)-1,3-thiazole-4-carboxylate
CID 130987614
Methyl 5-amino-2-(2,2-difluoropropyl)-1,3-thiazole-4-carboxylate
CID 137940604
Ethyl 5-amino-2-cyclopentyl-1,3-thiazole-4-carboxylate
CID 23627813
Ethyl 5-amino-2-ethyl-1,3-thiazole-4-carboxylate
CID 23627814

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-(cyclohexylmethyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-amino-2-(cyclohexylmethyl)-1,3-thiazole-4-carboxylate (CID 103199691) is methyl 5-amino-2-(cyclohexylmethyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-2-(cyclohexylmethyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-2-(cyclohexylmethyl)-1,3-thiazole-4-carboxylate is COC(=O)c1nc(CC2CCCCC2)sc1N.
What is the InChIKey of methyl 5-amino-2-(cyclohexylmethyl)-1,3-thiazole-4-carboxylate?
The InChIKey is XXNBEIVDBDSPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-16-12(15)10-11(13)17-9(14-10)7-8-5-3-2-4-6-8/h8H,2-7,13H2,1H3.
What are the key properties of methyl 5-amino-2-(cyclohexylmethyl)-1,3-thiazole-4-carboxylate?
methyl 5-amino-2-(cyclohexylmethyl)-1,3-thiazole-4-carboxylate has a molecular weight of 254.35 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-(cyclohexylmethyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 103199691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).