2-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxylic acid

C10H13NO2S — CID 116965814

IUPAC2-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxylic acid
SMILESCC(C)c1csc(C2CC2C(=O)O)n1
InChIInChI=1S/C10H13NO2S/c1-5(2)8-4-14-9(11-8)6-3-7(6)10(12)13/h4-7H,3H2,1-2H3,(H,12,13)
InChIKeyNEZQWRXFXDNXPL-UHFFFAOYSA-N
MW211.29 g/mol
LogP2.45
Rot. Bonds3

About 2-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxylic acid

2-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxylic acid (PubChem CID 116965814) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 2-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxylic acid
PubChem CID116965814
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name2-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxylic acid
SMILESCC(C)c1csc(C2CC2C(=O)O)n1
InChIInChI=1S/C10H13NO2S/c1-5(2)8-4-14-9(11-8)6-3-7(6)10(12)13/h4-7H,3H2,1-2H3,(H,12,13)
InChIKeyNEZQWRXFXDNXPL-UHFFFAOYSA-N
XLogP2.45
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethyl-1,3-thiazol-2-yl)cyclopropane-1-carboxylic acid
CID 116965810
2-(4-phenyl-1,3-thiazol-2-yl)cyclopropane-1-carboxylic acid
CID 116965816
2-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 61479820
2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]cyclopropane-1-carboxylic acid
CID 116965821
4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]cyclohexane-1-carboxylic acid
CID 116968773
1-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 53016835
2-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]cyclopropane-1-carboxylic acid
CID 116889343
2-(5,6-dimethyl-1,4-dithian-2-yl)-4-propan-2-yl-1,3-thiazole
CID 103347048
N-propan-2-yl-4-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 53016871
1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxylic acid
CID 83703237
(3S)-N-methyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 95991014
4-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carbonyl]benzoic acid
CID 119186414

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxylic acid (CID 116965814) is 2-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxylic acid is CC(C)c1csc(C2CC2C(=O)O)n1.
What is the InChIKey of 2-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxylic acid?
The InChIKey is NEZQWRXFXDNXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-5(2)8-4-14-9(11-8)6-3-7(6)10(12)13/h4-7H,3H2,1-2H3,(H,12,13).
What are the key properties of 2-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxylic acid?
2-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxylic acid has a molecular weight of 211.29 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 116965814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).