2-[1-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]acetic acid

C13H20N2O2S — CID 65243216

IUPAC2-[1-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]acetic acid
SMILESCc1csc(N(C)C2(CC(=O)O)CCCCC2)n1
InChIInChI=1S/C13H20N2O2S/c1-10-9-18-12(14-10)15(2)13(8-11(16)17)6-4-3-5-7-13/h9H,3-8H2,1-2H3,(H,16,17)
InChIKeyDBPBUGBRMRYZAV-UHFFFAOYSA-N
MW268.38 g/mol
LogP3.07
Rot. Bonds4

About 2-[1-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]acetic acid

2-[1-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]acetic acid (PubChem CID 65243216) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-[1-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]acetic acid
PubChem CID65243216
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-[1-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]acetic acid
SMILESCc1csc(N(C)C2(CC(=O)O)CCCCC2)n1
InChIInChI=1S/C13H20N2O2S/c1-10-9-18-12(14-10)15(2)13(8-11(16)17)6-4-3-5-7-13/h9H,3-8H2,1-2H3,(H,16,17)
InChIKeyDBPBUGBRMRYZAV-UHFFFAOYSA-N
XLogP3.07
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(dimethylamino)cycloheptyl]acetic acid
CID 64526393
2-[1-[methyl-(2-methylpyrimidin-4-yl)amino]cyclohexyl]acetic acid
CID 65242738
2-[1-[(4-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]acetic acid
CID 64699603
2-[1-[[2-(dimethylamino)pyrimidin-4-yl]-methylamino]cyclohexyl]acetic acid
CID 65243266
2-[1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 43235067
2-[1-[methyl-(4-methylthiophene-3-carbonyl)amino]cyclohexyl]acetic acid
CID 79803321
2-[1-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]cyclohexyl]acetic acid
CID 64700291
2-[1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61070753
2-[1-[(1-ethylimidazol-2-yl)-methylamino]cyclohexyl]acetic acid
CID 65243411
2-[1-(4-cyano-N-methylanilino)cyclohexyl]acetic acid
CID 65243369
2-[1-[acetyl(methyl)amino]cyclohexyl]acetic acid
CID 65238588
2-[1-[methyl(7H-purin-6-yl)amino]cyclohexyl]acetic acid
CID 65242733

Frequently Asked Questions

What is the IUPAC name of 2-[1-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]acetic acid (CID 65243216) is 2-[1-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]acetic acid is Cc1csc(N(C)C2(CC(=O)O)CCCCC2)n1.
What is the InChIKey of 2-[1-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]acetic acid?
The InChIKey is DBPBUGBRMRYZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-10-9-18-12(14-10)15(2)13(8-11(16)17)6-4-3-5-7-13/h9H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 2-[1-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]acetic acid?
2-[1-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]acetic acid has a molecular weight of 268.38 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]acetic acid is sourced from PubChem (CID 65243216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).