2-(2,4-dipropyl-1,3-thiazol-5-yl)acetic acid

C11H17NO2S — CID 82431548

IUPAC2-(2,4-dipropyl-1,3-thiazol-5-yl)acetic acid
SMILESCCCc1nc(CCC)c(CC(=O)O)s1
InChIInChI=1S/C11H17NO2S/c1-3-5-8-9(7-11(13)14)15-10(12-8)6-4-2/h3-7H2,1-2H3,(H,13,14)
InChIKeyCHMKQOZRWNEMSW-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.68
Rot. Bonds6

About 2-(2,4-dipropyl-1,3-thiazol-5-yl)acetic acid

2-(2,4-dipropyl-1,3-thiazol-5-yl)acetic acid (PubChem CID 82431548) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-(2,4-dipropyl-1,3-thiazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(2,4-dipropyl-1,3-thiazol-5-yl)acetic acid
PubChem CID82431548
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name2-(2,4-dipropyl-1,3-thiazol-5-yl)acetic acid
SMILESCCCc1nc(CCC)c(CC(=O)O)s1
InChIInChI=1S/C11H17NO2S/c1-3-5-8-9(7-11(13)14)15-10(12-8)6-4-2/h3-7H2,1-2H3,(H,13,14)
InChIKeyCHMKQOZRWNEMSW-UHFFFAOYSA-N
XLogP2.68
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-methoxyethyl)-4-propyl-1,3-thiazol-5-yl]acetic acid
CID 82431442
2-[2-(diethylaminomethyl)-4-propyl-1,3-thiazol-5-yl]acetic acid
CID 82432920
2-(4,5-dipentyl-1,3-thiazol-2-yl)acetic acid
CID 70616107
2-[4-ethyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]acetic acid
CID 82430708
2-[2-[(3-methylpiperidin-1-yl)methyl]-4-propyl-1,3-thiazol-5-yl]acetic acid
CID 82432991
2-(4-methyl-2-pentyl-1,3-thiazol-5-yl)acetic acid
CID 82054967
4,5-diethyl-2-propyl-1,3-thiazole
CID 150030476
2-[4-(2,4-dimethylphenyl)-2-propyl-1,3-thiazol-5-yl]acetic acid
CID 82069390
3-[2-(propan-2-ylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]propanoic acid
CID 82432135
2-[4-ethyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]acetic acid
CID 82429290
2-[2-(3-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]acetic acid
CID 82433345
3-(2-tert-butyl-4-propyl-1,3-thiazol-5-yl)propanoic acid
CID 82432359

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dipropyl-1,3-thiazol-5-yl)acetic acid?
The IUPAC name of 2-(2,4-dipropyl-1,3-thiazol-5-yl)acetic acid (CID 82431548) is 2-(2,4-dipropyl-1,3-thiazol-5-yl)acetic acid.
What is the SMILES notation for 2-(2,4-dipropyl-1,3-thiazol-5-yl)acetic acid?
The canonical SMILES for 2-(2,4-dipropyl-1,3-thiazol-5-yl)acetic acid is CCCc1nc(CCC)c(CC(=O)O)s1.
What is the InChIKey of 2-(2,4-dipropyl-1,3-thiazol-5-yl)acetic acid?
The InChIKey is CHMKQOZRWNEMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-3-5-8-9(7-11(13)14)15-10(12-8)6-4-2/h3-7H2,1-2H3,(H,13,14).
What are the key properties of 2-(2,4-dipropyl-1,3-thiazol-5-yl)acetic acid?
2-(2,4-dipropyl-1,3-thiazol-5-yl)acetic acid has a molecular weight of 227.33 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dipropyl-1,3-thiazol-5-yl)acetic acid is sourced from PubChem (CID 82431548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).