2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]cyclohexane-1-carboxylic acid

C13H20N2O2S — CID 55258294

IUPAC2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]cyclohexane-1-carboxylic acid
SMILESCc1ncsc1CN(C)C1CCCCC1C(=O)O
InChIInChI=1S/C13H20N2O2S/c1-9-12(18-8-14-9)7-15(2)11-6-4-3-5-10(11)13(16)17/h8,10-11H,3-7H2,1-2H3,(H,16,17)
InChIKeyFXJMCPVKFHULRT-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.53
Rot. Bonds4

About 2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]cyclohexane-1-carboxylic acid

2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 55258294) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]cyclohexane-1-carboxylic acid
PubChem CID55258294
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]cyclohexane-1-carboxylic acid
SMILESCc1ncsc1CN(C)C1CCCCC1C(=O)O
InChIInChI=1S/C13H20N2O2S/c1-9-12(18-8-14-9)7-15(2)11-6-4-3-5-10(11)13(16)17/h8,10-11H,3-7H2,1-2H3,(H,16,17)
InChIKeyFXJMCPVKFHULRT-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]cyclohexane-1-carboxylic acid (CID 55258294) is 2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]cyclohexane-1-carboxylic acid is Cc1ncsc1CN(C)C1CCCCC1C(=O)O.
What is the InChIKey of 2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is FXJMCPVKFHULRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-9-12(18-8-14-9)7-15(2)11-6-4-3-5-10(11)13(16)17/h8,10-11H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]cyclohexane-1-carboxylic acid?
2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 268.38 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 55258294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).