methyl 3-[2-(1-amino-4-methylcyclohexyl)-1,3-thiazol-4-yl]propanoate

C14H22N2O2S — CID 107039449

IUPACmethyl 3-[2-(1-amino-4-methylcyclohexyl)-1,3-thiazol-4-yl]propanoate
SMILESCOC(=O)CCc1csc(C2(N)CCC(C)CC2)n1
InChIInChI=1S/C14H22N2O2S/c1-10-5-7-14(15,8-6-10)13-16-11(9-19-13)3-4-12(17)18-2/h9-10H,3-8,15H2,1-2H3
InChIKeyVCJBCKVWKUKPHS-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.61
Rot. Bonds4

About methyl 3-[2-(1-amino-4-methylcyclohexyl)-1,3-thiazol-4-yl]propanoate

methyl 3-[2-(1-amino-4-methylcyclohexyl)-1,3-thiazol-4-yl]propanoate (PubChem CID 107039449) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is methyl 3-[2-(1-amino-4-methylcyclohexyl)-1,3-thiazol-4-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-(1-amino-4-methylcyclohexyl)-1,3-thiazol-4-yl]propanoate
PubChem CID107039449
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Namemethyl 3-[2-(1-amino-4-methylcyclohexyl)-1,3-thiazol-4-yl]propanoate
SMILESCOC(=O)CCc1csc(C2(N)CCC(C)CC2)n1
InChIInChI=1S/C14H22N2O2S/c1-10-5-7-14(15,8-6-10)13-16-11(9-19-13)3-4-12(17)18-2/h9-10H,3-8,15H2,1-2H3
InChIKeyVCJBCKVWKUKPHS-UHFFFAOYSA-N
XLogP2.61
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-hexyl-1,3-thiazol-2-yl)-4-methylcyclohexan-1-amine
CID 102625902
methyl 3-[2-(1-ethoxycyclohexyl)-1,3-thiazol-4-yl]propanoate
CID 107039795
methyl 4-methyl-1-[3-(2-methyl-1,3-thiazol-4-yl)propanoylamino]cyclohexane-1-carboxylate
CID 56789284
methyl 3-[2-(cyclopropylamino)-1,3-thiazol-4-yl]propanoate
CID 107039853
methyl 3-[2-(dimethylamino)-1,3-thiazol-4-yl]propanoate
CID 107039652
methyl 3-[2-[(2,2-dimethylcyclopentyl)amino]-1,3-thiazol-4-yl]propanoate
CID 107040507
methyl 3-[2-(2-aminoethyl)-1,3-thiazol-4-yl]propanoate
CID 94256912
methyl 3-[2-[(2,3-dimethyloxolan-3-yl)amino]-1,3-thiazol-4-yl]propanoate
CID 114096870
methyl 3-[2-[(2-methylcyclohexyl)amino]-1,3-thiazol-4-yl]propanoate
CID 107039923
1-(4-propyl-1,3-thiazol-2-yl)cyclopentan-1-amine;hydrochloride
CID 120558297
4-ethyl-1-(4-ethyl-1,3-thiazol-2-yl)cyclohexan-1-amine
CID 62040434
1-[2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 116774708

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(1-amino-4-methylcyclohexyl)-1,3-thiazol-4-yl]propanoate?
The IUPAC name of methyl 3-[2-(1-amino-4-methylcyclohexyl)-1,3-thiazol-4-yl]propanoate (CID 107039449) is methyl 3-[2-(1-amino-4-methylcyclohexyl)-1,3-thiazol-4-yl]propanoate.
What is the SMILES notation for methyl 3-[2-(1-amino-4-methylcyclohexyl)-1,3-thiazol-4-yl]propanoate?
The canonical SMILES for methyl 3-[2-(1-amino-4-methylcyclohexyl)-1,3-thiazol-4-yl]propanoate is COC(=O)CCc1csc(C2(N)CCC(C)CC2)n1.
What is the InChIKey of methyl 3-[2-(1-amino-4-methylcyclohexyl)-1,3-thiazol-4-yl]propanoate?
The InChIKey is VCJBCKVWKUKPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-10-5-7-14(15,8-6-10)13-16-11(9-19-13)3-4-12(17)18-2/h9-10H,3-8,15H2,1-2H3.
What are the key properties of methyl 3-[2-(1-amino-4-methylcyclohexyl)-1,3-thiazol-4-yl]propanoate?
methyl 3-[2-(1-amino-4-methylcyclohexyl)-1,3-thiazol-4-yl]propanoate has a molecular weight of 282.41 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(1-amino-4-methylcyclohexyl)-1,3-thiazol-4-yl]propanoate is sourced from PubChem (CID 107039449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).