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

C12H20N2O2S — CID 82069250

IUPAC2-[5-(diethylaminomethyl)-2-ethyl-1,3-thiazol-4-yl]acetic acid
SMILESCCc1nc(CC(=O)O)c(CN(CC)CC)s1
InChIInChI=1S/C12H20N2O2S/c1-4-11-13-9(7-12(15)16)10(17-11)8-14(5-2)6-3/h4-8H2,1-3H3,(H,15,16)
InChIKeyVXYZMOJGNPMBPI-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.17
Rot. Bonds7

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

2-[5-(diethylaminomethyl)-2-ethyl-1,3-thiazol-4-yl]acetic acid (PubChem CID 82069250) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 2-[5-(diethylaminomethyl)-2-ethyl-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(diethylaminomethyl)-2-ethyl-1,3-thiazol-4-yl]acetic acid
PubChem CID82069250
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name2-[5-(diethylaminomethyl)-2-ethyl-1,3-thiazol-4-yl]acetic acid
SMILESCCc1nc(CC(=O)O)c(CN(CC)CC)s1
InChIInChI=1S/C12H20N2O2S/c1-4-11-13-9(7-12(15)16)10(17-11)8-14(5-2)6-3/h4-8H2,1-3H3,(H,15,16)
InChIKeyVXYZMOJGNPMBPI-UHFFFAOYSA-N
XLogP2.17
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[(dipropylamino)methyl]-2-ethyl-1,3-thiazol-4-yl]acetic acid
CID 82069200
2-[2-(diethylaminomethyl)-4-propyl-1,3-thiazol-5-yl]acetic acid
CID 82432920
2-[2-(diethylaminomethyl)-4-propan-2-yl-1,3-thiazol-5-yl]acetic acid
CID 82435214
2-[2-ethyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]acetic acid
CID 82069204
2-(4,5-dipentyl-1,3-thiazol-2-yl)acetic acid
CID 70616107
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
5-(diethylaminomethyl)-2-propyl-1,3-thiazole-4-carboxylic acid
CID 82069110
N-[[5-(bromomethyl)-4-ethyl-1,3-thiazol-2-yl]methyl]-N-ethylethanamine
CID 82430445
2-(2,4-dipropyl-1,3-thiazol-5-yl)acetic acid
CID 82431548
5-[[bis(2-methoxyethyl)amino]methyl]-2-ethyl-1,3-thiazole-4-carboxylic acid
CID 82069049
5-[[bis(prop-2-enyl)amino]methyl]-2-ethyl-1,3-thiazole-4-carboxylic acid
CID 82069098

Frequently Asked Questions

What is the IUPAC name of 2-[5-(diethylaminomethyl)-2-ethyl-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[5-(diethylaminomethyl)-2-ethyl-1,3-thiazol-4-yl]acetic acid (CID 82069250) is 2-[5-(diethylaminomethyl)-2-ethyl-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[5-(diethylaminomethyl)-2-ethyl-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[5-(diethylaminomethyl)-2-ethyl-1,3-thiazol-4-yl]acetic acid is CCc1nc(CC(=O)O)c(CN(CC)CC)s1.
What is the InChIKey of 2-[5-(diethylaminomethyl)-2-ethyl-1,3-thiazol-4-yl]acetic acid?
The InChIKey is VXYZMOJGNPMBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-4-11-13-9(7-12(15)16)10(17-11)8-14(5-2)6-3/h4-8H2,1-3H3,(H,15,16).
What are the key properties of 2-[5-(diethylaminomethyl)-2-ethyl-1,3-thiazol-4-yl]acetic acid?
2-[5-(diethylaminomethyl)-2-ethyl-1,3-thiazol-4-yl]acetic acid has a molecular weight of 256.37 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(diethylaminomethyl)-2-ethyl-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 82069250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).