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

C12H18N2O2S — CID 106510122

IUPACmethyl 2-amino-5-(4-methylcyclohexyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(N)sc1C1CCC(C)CC1
InChIInChI=1S/C12H18N2O2S/c1-7-3-5-8(6-4-7)10-9(11(15)16-2)14-12(13)17-10/h7-8H,3-6H2,1-2H3,(H2,13,14)
InChIKeyKKCHVQIGGYMZDQ-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.81
Rot. Bonds2

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

methyl 2-amino-5-(4-methylcyclohexyl)-1,3-thiazole-4-carboxylate (PubChem CID 106510122) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is methyl 2-amino-5-(4-methylcyclohexyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-5-(4-methylcyclohexyl)-1,3-thiazole-4-carboxylate
PubChem CID106510122
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Namemethyl 2-amino-5-(4-methylcyclohexyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(N)sc1C1CCC(C)CC1
InChIInChI=1S/C12H18N2O2S/c1-7-3-5-8(6-4-7)10-9(11(15)16-2)14-12(13)17-10/h7-8H,3-6H2,1-2H3,(H2,13,14)
InChIKeyKKCHVQIGGYMZDQ-UHFFFAOYSA-N
XLogP2.81
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 2-amino-5-(propan-2-yl)-1,3-thiazole-4-carboxylate
CID 737584
2-Amino-5-propyl-4-phosphonomethoxycarbonylthiazole
CID 22280501
2-Amino-5-(2-methylpropyl)-1,3-thiazole-4-carboxylic acid
CID 71308099
Methyl 2-amino-4-cyclopentyl-1,3-thiazole-5-carboxylate
CID 75449176
2-Amino-5-pentyl-1,3-thiazole-4-carboxylic acid
CID 87190141
2-Amino-5-butyl-1,3-thiazole-4-carboxylic acid
CID 164664245
Methyl 2-amino-5-cyclopropyl-1,3-thiazole-4-carboxylate
CID 86775516
2-Azanyl-5-hexyl-1,3-thiazole-4-carboxylic acid
CID 168719752
2-Azanyl-5-heptyl-1,3-thiazole-4-carboxylic acid
CID 168719753
Ethyl 2-amino-4-cyclohexyl-1,3-thiazole-5-carboxylate
CID 20557025
Ethyl 2-amino-5-propyl-1,3-thiazole-4-carboxylate
CID 12603725
Ethyl 2-amino-5-isopropylthiazole-4-carboxylate
CID 12603726

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-(4-methylcyclohexyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-amino-5-(4-methylcyclohexyl)-1,3-thiazole-4-carboxylate (CID 106510122) is methyl 2-amino-5-(4-methylcyclohexyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-amino-5-(4-methylcyclohexyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-amino-5-(4-methylcyclohexyl)-1,3-thiazole-4-carboxylate is COC(=O)c1nc(N)sc1C1CCC(C)CC1.
What is the InChIKey of methyl 2-amino-5-(4-methylcyclohexyl)-1,3-thiazole-4-carboxylate?
The InChIKey is KKCHVQIGGYMZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-7-3-5-8(6-4-7)10-9(11(15)16-2)14-12(13)17-10/h7-8H,3-6H2,1-2H3,(H2,13,14).
What are the key properties of methyl 2-amino-5-(4-methylcyclohexyl)-1,3-thiazole-4-carboxylate?
methyl 2-amino-5-(4-methylcyclohexyl)-1,3-thiazole-4-carboxylate has a molecular weight of 254.35 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-(4-methylcyclohexyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 106510122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).