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

C13H14N2O2S — CID 82069331

IUPAC2-(2-propan-2-yl-4-pyridin-3-yl-1,3-thiazol-5-yl)acetic acid
SMILESCC(C)c1nc(-c2cccnc2)c(CC(=O)O)s1
InChIInChI=1S/C13H14N2O2S/c1-8(2)13-15-12(9-4-3-5-14-7-9)10(18-13)6-11(16)17/h3-5,7-8H,6H2,1-2H3,(H,16,17)
InChIKeyKJZIFCMDEDMVJV-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.96
Rot. Bonds4

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

2-(2-propan-2-yl-4-pyridin-3-yl-1,3-thiazol-5-yl)acetic acid (PubChem CID 82069331) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-(2-propan-2-yl-4-pyridin-3-yl-1,3-thiazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(2-propan-2-yl-4-pyridin-3-yl-1,3-thiazol-5-yl)acetic acid
PubChem CID82069331
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name2-(2-propan-2-yl-4-pyridin-3-yl-1,3-thiazol-5-yl)acetic acid
SMILESCC(C)c1nc(-c2cccnc2)c(CC(=O)O)s1
InChIInChI=1S/C13H14N2O2S/c1-8(2)13-15-12(9-4-3-5-14-7-9)10(18-13)6-11(16)17/h3-5,7-8H,6H2,1-2H3,(H,16,17)
InChIKeyKJZIFCMDEDMVJV-UHFFFAOYSA-N
XLogP2.96
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dipyridin-3-yl-1,3-thiazol-5-yl)acetic acid
CID 82069424
N-[(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 81173870
2-(5-fluoro-6-pyridin-3-yl-2-pyridinyl)acetic acid
CID 131870101
2-(2-pyridin-3-yl-1,3-thiazol-5-yl)acetic acid
CID 82286214
2-(6-pyridin-3-yl-2-pyridinyl)acetic acid
CID 46316923
2-(6-methyl-3-pyridin-3-yl-2-pyridinyl)acetic acid
CID 46316907
2-[2-anilino-4-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 23913706
5-propan-2-yl-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 82106824
2-(6-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-2-yl)acetic acid
CID 3290134
3-(2-pyridin-3-yl-1,3-thiazol-4-yl)butanoic acid
CID 116889238
1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)propan-2-one
CID 82289672
ethyl 2-methyl-6-pyridin-3-ylpyridine-3-carboxylate
CID 112561966

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-yl-4-pyridin-3-yl-1,3-thiazol-5-yl)acetic acid?
The IUPAC name of 2-(2-propan-2-yl-4-pyridin-3-yl-1,3-thiazol-5-yl)acetic acid (CID 82069331) is 2-(2-propan-2-yl-4-pyridin-3-yl-1,3-thiazol-5-yl)acetic acid.
What is the SMILES notation for 2-(2-propan-2-yl-4-pyridin-3-yl-1,3-thiazol-5-yl)acetic acid?
The canonical SMILES for 2-(2-propan-2-yl-4-pyridin-3-yl-1,3-thiazol-5-yl)acetic acid is CC(C)c1nc(-c2cccnc2)c(CC(=O)O)s1.
What is the InChIKey of 2-(2-propan-2-yl-4-pyridin-3-yl-1,3-thiazol-5-yl)acetic acid?
The InChIKey is KJZIFCMDEDMVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-8(2)13-15-12(9-4-3-5-14-7-9)10(18-13)6-11(16)17/h3-5,7-8H,6H2,1-2H3,(H,16,17).
What are the key properties of 2-(2-propan-2-yl-4-pyridin-3-yl-1,3-thiazol-5-yl)acetic acid?
2-(2-propan-2-yl-4-pyridin-3-yl-1,3-thiazol-5-yl)acetic acid has a molecular weight of 262.33 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-yl-4-pyridin-3-yl-1,3-thiazol-5-yl)acetic acid is sourced from PubChem (CID 82069331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).