2-[2-(diethylaminomethyl)-4-propyl-1,3-thiazol-5-yl]acetic acid

C13H22N2O2S — CID 82432920

IUPAC2-[2-(diethylaminomethyl)-4-propyl-1,3-thiazol-5-yl]acetic acid
SMILESCCCc1nc(CN(CC)CC)sc1CC(=O)O
InChIInChI=1S/C13H22N2O2S/c1-4-7-10-11(8-13(16)17)18-12(14-10)9-15(5-2)6-3/h4-9H2,1-3H3,(H,16,17)
InChIKeyGMNZXIRSDSTPHD-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.56
Rot. Bonds8

About 2-[2-(diethylaminomethyl)-4-propyl-1,3-thiazol-5-yl]acetic acid

2-[2-(diethylaminomethyl)-4-propyl-1,3-thiazol-5-yl]acetic acid (PubChem CID 82432920) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 2-[2-(diethylaminomethyl)-4-propyl-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(diethylaminomethyl)-4-propyl-1,3-thiazol-5-yl]acetic acid
PubChem CID82432920
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name2-[2-(diethylaminomethyl)-4-propyl-1,3-thiazol-5-yl]acetic acid
SMILESCCCc1nc(CN(CC)CC)sc1CC(=O)O
InChIInChI=1S/C13H22N2O2S/c1-4-7-10-11(8-13(16)17)18-12(14-10)9-15(5-2)6-3/h4-9H2,1-3H3,(H,16,17)
InChIKeyGMNZXIRSDSTPHD-UHFFFAOYSA-N
XLogP2.56
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dipropyl-1,3-thiazol-5-yl)acetic acid
CID 82431548
2-[2-(diethylaminomethyl)-4-propan-2-yl-1,3-thiazol-5-yl]acetic acid
CID 82435214
2-[2-(2-methoxyethyl)-4-propyl-1,3-thiazol-5-yl]acetic acid
CID 82431442
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-(diethylaminomethyl)-4-propyl-1,3-thiazole-5-carbohydrazide
CID 82432930
5-(diethylaminomethyl)-2-propyl-1,3-thiazole-4-carboxylic acid
CID 82069110
2-[5-[(dipropylamino)methyl]-2-ethyl-1,3-thiazol-4-yl]acetic acid
CID 82069200
2-[2-[(3-methylpiperidin-1-yl)methyl]-4-propyl-1,3-thiazol-5-yl]acetic acid
CID 82432991
N-[[5-(bromomethyl)-4-ethyl-1,3-thiazol-2-yl]methyl]-N-ethylethanamine
CID 82430445
2-[2-[2-(diethylamino)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]acetic acid
CID 82435403
3-[2-(propan-2-ylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]propanoic acid
CID 82432135

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylaminomethyl)-4-propyl-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-(diethylaminomethyl)-4-propyl-1,3-thiazol-5-yl]acetic acid (CID 82432920) is 2-[2-(diethylaminomethyl)-4-propyl-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(diethylaminomethyl)-4-propyl-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-(diethylaminomethyl)-4-propyl-1,3-thiazol-5-yl]acetic acid is CCCc1nc(CN(CC)CC)sc1CC(=O)O.
What is the InChIKey of 2-[2-(diethylaminomethyl)-4-propyl-1,3-thiazol-5-yl]acetic acid?
The InChIKey is GMNZXIRSDSTPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-4-7-10-11(8-13(16)17)18-12(14-10)9-15(5-2)6-3/h4-9H2,1-3H3,(H,16,17).
What are the key properties of 2-[2-(diethylaminomethyl)-4-propyl-1,3-thiazol-5-yl]acetic acid?
2-[2-(diethylaminomethyl)-4-propyl-1,3-thiazol-5-yl]acetic acid has a molecular weight of 270.40 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylaminomethyl)-4-propyl-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 82432920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).