2-[4-cyclopropyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]acetic acid

C11H16N2O2S — CID 82437537

IUPAC2-[4-cyclopropyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]acetic acid
SMILESCN(C)Cc1nc(C2CC2)c(CC(=O)O)s1
InChIInChI=1S/C11H16N2O2S/c1-13(2)6-9-12-11(7-3-4-7)8(16-9)5-10(14)15/h7H,3-6H2,1-2H3,(H,14,15)
InChIKeyOEVLBESQJPCMRT-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.71
Rot. Bonds5

About 2-[4-cyclopropyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]acetic acid

2-[4-cyclopropyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]acetic acid (PubChem CID 82437537) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-[4-cyclopropyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-cyclopropyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]acetic acid
PubChem CID82437537
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name2-[4-cyclopropyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]acetic acid
SMILESCN(C)Cc1nc(C2CC2)c(CC(=O)O)s1
InChIInChI=1S/C11H16N2O2S/c1-13(2)6-9-12-11(7-3-4-7)8(16-9)5-10(14)15/h7H,3-6H2,1-2H3,(H,14,15)
InChIKeyOEVLBESQJPCMRT-UHFFFAOYSA-N
XLogP1.71
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(bromomethyl)-4-cyclopropyl-1,3-thiazol-2-yl]-N,N-dimethylmethanamine
CID 82437535
2-(2-benzyl-4-cyclopropyl-1,3-thiazol-5-yl)acetic acid
CID 82436091
2-[4-cyclopropyl-2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]acetic acid
CID 82437711
2-[4-cyclopropyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]acetic acid
CID 82437854
2-[2-[(4-chlorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]acetic acid
CID 82436126
2-[4-cyclopropyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]propan-2-ol
CID 82437541
2-(4-cyclopropyl-2-phenyl-1,3-thiazol-5-yl)acetic acid
CID 82436026
2-[(dimethylamino)methyl]-5-ethyl-1,3-thiazole-4-carboxylic acid
CID 70211359
1-[4-cyclopropyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]ethanamine
CID 82437555
2-[5-(bromomethyl)-4-cyclopropyl-1,3-thiazol-2-yl]-N,N-dimethylethanamine
CID 82437750
2-[2-(diethylaminomethyl)-4-propyl-1,3-thiazol-5-yl]acetic acid
CID 82432920
2-[4-amino-6-cyclopropyl-2-(dimethylamino)pyrimidin-5-yl]acetic acid
CID 84699425

Frequently Asked Questions

What is the IUPAC name of 2-[4-cyclopropyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[4-cyclopropyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]acetic acid (CID 82437537) is 2-[4-cyclopropyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[4-cyclopropyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[4-cyclopropyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]acetic acid is CN(C)Cc1nc(C2CC2)c(CC(=O)O)s1.
What is the InChIKey of 2-[4-cyclopropyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]acetic acid?
The InChIKey is OEVLBESQJPCMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-13(2)6-9-12-11(7-3-4-7)8(16-9)5-10(14)15/h7H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 2-[4-cyclopropyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]acetic acid?
2-[4-cyclopropyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]acetic acid has a molecular weight of 240.33 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-cyclopropyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 82437537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).