2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxylic acid

C14H18N2O3S — CID 39403538

IUPAC2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(C2CCN(C(=O)C3CC3)CC2)sc1C(=O)O
InChIInChI=1S/C14H18N2O3S/c1-8-11(14(18)19)20-12(15-8)9-4-6-16(7-5-9)13(17)10-2-3-10/h9-10H,2-7H2,1H3,(H,18,19)
InChIKeyOVCSQFNTONPKPM-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.27
Rot. Bonds3

About 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxylic acid

2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 39403538) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID39403538
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(C2CCN(C(=O)C3CC3)CC2)sc1C(=O)O
InChIInChI=1S/C14H18N2O3S/c1-8-11(14(18)19)20-12(15-8)9-4-6-16(7-5-9)13(17)10-2-3-10/h9-10H,2-7H2,1H3,(H,18,19)
InChIKeyOVCSQFNTONPKPM-UHFFFAOYSA-N
XLogP2.27
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxylic acid (CID 39403538) is 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxylic acid is Cc1nc(C2CCN(C(=O)C3CC3)CC2)sc1C(=O)O.
What is the InChIKey of 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is OVCSQFNTONPKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-8-11(14(18)19)20-12(15-8)9-4-6-16(7-5-9)13(17)10-2-3-10/h9-10H,2-7H2,1H3,(H,18,19).
What are the key properties of 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxylic acid?
2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 294.38 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 39403538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).