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

C13H22N2O2S — CID 39159817

IUPAC2-[2-[2-(dipropylamino)ethyl]-1,3-thiazol-4-yl]acetic acid
SMILESCCCN(CCC)CCc1nc(CC(=O)O)cs1
InChIInChI=1S/C13H22N2O2S/c1-3-6-15(7-4-2)8-5-12-14-11(10-18-12)9-13(16)17/h10H,3-9H2,1-2H3,(H,16,17)
InChIKeyCFYOORKBBXWZBI-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.43
Rot. Bonds9

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

2-[2-[2-(dipropylamino)ethyl]-1,3-thiazol-4-yl]acetic acid (PubChem CID 39159817) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 2-[2-[2-(dipropylamino)ethyl]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[2-(dipropylamino)ethyl]-1,3-thiazol-4-yl]acetic acid
PubChem CID39159817
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name2-[2-[2-(dipropylamino)ethyl]-1,3-thiazol-4-yl]acetic acid
SMILESCCCN(CCC)CCc1nc(CC(=O)O)cs1
InChIInChI=1S/C13H22N2O2S/c1-3-6-15(7-4-2)8-5-12-14-11(10-18-12)9-13(16)17/h10H,3-9H2,1-2H3,(H,16,17)
InChIKeyCFYOORKBBXWZBI-UHFFFAOYSA-N
XLogP2.43
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Thiazoleacetic acid
CID 236262
(2-Methyl-1,3-thiazol-4-yl)acetic acid
CID 854632
2-(2-Bromo-1,3-thiazol-4-yl)acetic acid
CID 20288630
2-(2-(Propan-2-yl)-1,3-thiazol-4-yl)acetic acid
CID 18758903
2-(2-Tert-butyl-1,3-thiazol-4-yl)acetic acid
CID 43142314
2-(2-Chloro-1,3-thiazol-4-yl)acetic acid
CID 20190987
2-[2-(Methylsulfanyl)-1,3-thiazol-4-yl]acetic acid
CID 33696037
2-(2-Butyl-1,3-thiazol-4-yl)acetic acid
CID 79001916
Ethyl (2-methyl-1,3-thiazol-4-yl)acetate
CID 854815
2-(2-(Trifluoromethyl)-1,3-thiazol-4-yl)acetic acid
CID 28293789
2-[2-(2-Aminoethyl)-1,3-thiazol-4-yl]acetic acid dihydrochloride
CID 50988418
2-{2-[(1-Carbamoylethyl)sulfanyl]-1,3-thiazol-4-yl}acetic acid
CID 60708819

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(dipropylamino)ethyl]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[2-(dipropylamino)ethyl]-1,3-thiazol-4-yl]acetic acid (CID 39159817) is 2-[2-[2-(dipropylamino)ethyl]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[2-(dipropylamino)ethyl]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[2-(dipropylamino)ethyl]-1,3-thiazol-4-yl]acetic acid is CCCN(CCC)CCc1nc(CC(=O)O)cs1.
What is the InChIKey of 2-[2-[2-(dipropylamino)ethyl]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is CFYOORKBBXWZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-3-6-15(7-4-2)8-5-12-14-11(10-18-12)9-13(16)17/h10H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 2-[2-[2-(dipropylamino)ethyl]-1,3-thiazol-4-yl]acetic acid?
2-[2-[2-(dipropylamino)ethyl]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 270.40 g/mol, XLogP of 2.43, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(dipropylamino)ethyl]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 39159817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).