2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-thiazole-4-carboxylic acid

C9H11NO4S — CID 10944231

IUPAC2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-thiazole-4-carboxylic acid
SMILESCC1(C)OC[C@H](c2nc(C(=O)O)cs2)O1
InChIInChI=1S/C9H11NO4S/c1-9(2)13-3-6(14-9)7-10-5(4-15-7)8(11)12/h4,6H,3H2,1-2H3,(H,11,12)/t6-/m1/s1
InChIKeyPSTXSWSICAJZGP-ZCFIWIBFSA-N
MW229.26 g/mol
LogP1.67
Rot. Bonds2

About 2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-thiazole-4-carboxylic acid

2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-thiazole-4-carboxylic acid (PubChem CID 10944231) has the molecular formula C9H11NO4S and a molecular weight of 229.26 g/mol. Its IUPAC name is 2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-thiazole-4-carboxylic acid
PubChem CID10944231
Molecular FormulaC9H11NO4S
Molecular Weight229.26 g/mol
Exact Mass229.04
IUPAC Name2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-thiazole-4-carboxylic acid
SMILESCC1(C)OC[C@H](c2nc(C(=O)O)cs2)O1
InChIInChI=1S/C9H11NO4S/c1-9(2)13-3-6(14-9)7-10-5(4-15-7)8(11)12/h4,6H,3H2,1-2H3,(H,11,12)/t6-/m1/s1
InChIKeyPSTXSWSICAJZGP-ZCFIWIBFSA-N
XLogP1.67
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-ethylcyclohexyl)-1,3-thiazole-4-carboxylic acid
CID 65401658
2-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]acetic acid
CID 117344858
2-(thian-3-yl)-1,3-thiazole-4-carboxylic acid
CID 115037372
6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyridine-2-carboxylic acid
CID 58477293
2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]-2-oxoacetic acid
CID 117378520
[2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-fluoro-4-pyridinyl]carbamic acid
CID 175806150
2-chloro-1,3-thiazole-4-carboxylic acid;hydrochloride
CID 70024708
methyl 2-(2,2-dimethylcyclopropyl)-1,3-thiazole-4-carboxylate
CID 107925304
2-[(1-methylcyclopentyl)amino]-1,3-thiazole-4-carboxylic acid
CID 80568615
2-chloro-1-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]ethanone
CID 107925301
2-(1-methoxycyclobutyl)-1,3-thiazole-4-carboxylic acid
CID 116705157
1-[5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrazin-2-yl]-3,3-dimethylbutan-2-one
CID 58174291

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-thiazole-4-carboxylic acid (CID 10944231) is 2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-thiazole-4-carboxylic acid is CC1(C)OC[C@H](c2nc(C(=O)O)cs2)O1.
What is the InChIKey of 2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is PSTXSWSICAJZGP-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H11NO4S/c1-9(2)13-3-6(14-9)7-10-5(4-15-7)8(11)12/h4,6H,3H2,1-2H3,(H,11,12)/t6-/m1/s1.
What are the key properties of 2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-thiazole-4-carboxylic acid?
2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 229.26 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 10944231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).