5-(diethylaminomethyl)-2-propyl-1,3-thiazole-4-carboxylic acid

C12H20N2O2S — CID 82069110

IUPAC5-(diethylaminomethyl)-2-propyl-1,3-thiazole-4-carboxylic acid
SMILESCCCc1nc(C(=O)O)c(CN(CC)CC)s1
InChIInChI=1S/C12H20N2O2S/c1-4-7-10-13-11(12(15)16)9(17-10)8-14(5-2)6-3/h4-8H2,1-3H3,(H,15,16)
InChIKeyQDKXCMPDPUFKFA-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.64
Rot. Bonds7

About 5-(diethylaminomethyl)-2-propyl-1,3-thiazole-4-carboxylic acid

5-(diethylaminomethyl)-2-propyl-1,3-thiazole-4-carboxylic acid (PubChem CID 82069110) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 5-(diethylaminomethyl)-2-propyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(diethylaminomethyl)-2-propyl-1,3-thiazole-4-carboxylic acid
PubChem CID82069110
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name5-(diethylaminomethyl)-2-propyl-1,3-thiazole-4-carboxylic acid
SMILESCCCc1nc(C(=O)O)c(CN(CC)CC)s1
InChIInChI=1S/C12H20N2O2S/c1-4-7-10-13-11(12(15)16)9(17-10)8-14(5-2)6-3/h4-8H2,1-3H3,(H,15,16)
InChIKeyQDKXCMPDPUFKFA-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[bis(prop-2-enyl)amino]methyl]-2-ethyl-1,3-thiazole-4-carboxylic acid
CID 82069098
5-[[bis(2-methoxyethyl)amino]methyl]-2-ethyl-1,3-thiazole-4-carboxylic acid
CID 82069049
5-[[butyl(methyl)amino]methyl]-2-(2-methoxyethyl)-1,3-thiazole-4-carboxylic acid
CID 82069158
5-[(4-methylpiperazin-1-yl)methyl]-2-propyl-1,3-thiazole-4-carboxylic acid
CID 82069104
2-[2-(diethylaminomethyl)-4-propyl-1,3-thiazol-5-yl]acetic acid
CID 82432920
5-(piperazin-1-ylmethyl)-2-propyl-1,3-thiazole-4-carboxylic acid
CID 82069176
2-[(dimethylamino)methyl]-5-ethyl-1,3-thiazole-4-carboxylic acid
CID 70211359
2-(2-aminoethyl)-5-ethyl-1,3-thiazole-4-carboxylic acid
CID 83531807
2-benzyl-5-propyl-1,3-thiazole-4-carboxylic acid
CID 117098907
5-phenyl-2-propyl-1,3-thiazole-4-carboxylic acid
CID 64716441
2-[5-(diethylaminomethyl)-2-ethyl-1,3-thiazol-4-yl]acetic acid
CID 82069250
5-[[ethyl(2-hydroxyethyl)amino]methyl]-2-(propanoylamino)-1,3-thiazole-4-carboxylic acid
CID 82068924

Frequently Asked Questions

What is the IUPAC name of 5-(diethylaminomethyl)-2-propyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-(diethylaminomethyl)-2-propyl-1,3-thiazole-4-carboxylic acid (CID 82069110) is 5-(diethylaminomethyl)-2-propyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-(diethylaminomethyl)-2-propyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-(diethylaminomethyl)-2-propyl-1,3-thiazole-4-carboxylic acid is CCCc1nc(C(=O)O)c(CN(CC)CC)s1.
What is the InChIKey of 5-(diethylaminomethyl)-2-propyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is QDKXCMPDPUFKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-4-7-10-13-11(12(15)16)9(17-10)8-14(5-2)6-3/h4-8H2,1-3H3,(H,15,16).
What are the key properties of 5-(diethylaminomethyl)-2-propyl-1,3-thiazole-4-carboxylic acid?
5-(diethylaminomethyl)-2-propyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 256.37 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylaminomethyl)-2-propyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 82069110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).