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

C14H24N2O2S — CID 82069200

IUPAC2-[5-[(dipropylamino)methyl]-2-ethyl-1,3-thiazol-4-yl]acetic acid
SMILESCCCN(CCC)Cc1sc(CC)nc1CC(=O)O
InChIInChI=1S/C14H24N2O2S/c1-4-7-16(8-5-2)10-12-11(9-14(17)18)15-13(6-3)19-12/h4-10H2,1-3H3,(H,17,18)
InChIKeyZPLPIHDUIBWMFP-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.95
Rot. Bonds9

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

2-[5-[(dipropylamino)methyl]-2-ethyl-1,3-thiazol-4-yl]acetic acid (PubChem CID 82069200) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 2-[5-[(dipropylamino)methyl]-2-ethyl-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[(dipropylamino)methyl]-2-ethyl-1,3-thiazol-4-yl]acetic acid
PubChem CID82069200
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name2-[5-[(dipropylamino)methyl]-2-ethyl-1,3-thiazol-4-yl]acetic acid
SMILESCCCN(CCC)Cc1sc(CC)nc1CC(=O)O
InChIInChI=1S/C14H24N2O2S/c1-4-7-16(8-5-2)10-12-11(9-14(17)18)15-13(6-3)19-12/h4-10H2,1-3H3,(H,17,18)
InChIKeyZPLPIHDUIBWMFP-UHFFFAOYSA-N
XLogP2.95
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[5-[(dipropylamino)methyl]-2-ethyl-1,3-thiazol-4-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-(diethylaminomethyl)-2-ethyl-1,3-thiazol-4-yl]acetic acid
CID 82069250
2-(4,5-dipentyl-1,3-thiazol-2-yl)acetic acid
CID 70616107
2-[2-(diethylaminomethyl)-4-propyl-1,3-thiazol-5-yl]acetic acid
CID 82432920
5-[[bis(2-methoxyethyl)amino]methyl]-2-ethyl-1,3-thiazole-4-carboxylic acid
CID 82069049
2-[2-ethyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]acetic acid
CID 82069204
2-(2,4-dipropyl-1,3-thiazol-5-yl)acetic acid
CID 82431548
2-(2-ethyl-5-methoxycarbonyl-1,3-thiazol-4-yl)acetic acid
CID 69487025
2-(2-ethyl-4-propan-2-yl-1,3-thiazol-5-yl)acetic acid
CID 82069378
2-(5-hexadecyl-2-methyl-1,3-thiazol-4-yl)acetic acid
CID 102100077
5-[[bis(prop-2-enyl)amino]methyl]-2-ethyl-1,3-thiazole-4-carboxylic acid
CID 82069098
2-[2-ethyl-4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 82069356
2-[2-(diethylaminomethyl)-4-propan-2-yl-1,3-thiazol-5-yl]acetic acid
CID 82435214

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(dipropylamino)methyl]-2-ethyl-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[5-[(dipropylamino)methyl]-2-ethyl-1,3-thiazol-4-yl]acetic acid (CID 82069200) is 2-[5-[(dipropylamino)methyl]-2-ethyl-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[5-[(dipropylamino)methyl]-2-ethyl-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[5-[(dipropylamino)methyl]-2-ethyl-1,3-thiazol-4-yl]acetic acid is CCCN(CCC)Cc1sc(CC)nc1CC(=O)O.
What is the InChIKey of 2-[5-[(dipropylamino)methyl]-2-ethyl-1,3-thiazol-4-yl]acetic acid?
The InChIKey is ZPLPIHDUIBWMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-4-7-16(8-5-2)10-12-11(9-14(17)18)15-13(6-3)19-12/h4-10H2,1-3H3,(H,17,18).
What are the key properties of 2-[5-[(dipropylamino)methyl]-2-ethyl-1,3-thiazol-4-yl]acetic acid?
2-[5-[(dipropylamino)methyl]-2-ethyl-1,3-thiazol-4-yl]acetic acid has a molecular weight of 284.43 g/mol, XLogP of 2.95, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(dipropylamino)methyl]-2-ethyl-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 82069200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).