2-[[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid

C18H21N3O2S — CID 138021359

IUPAC2-[[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1CN1CCC(c2nc3c(s2)CCC3)CC1
InChIInChI=1S/C18H21N3O2S/c22-18(23)13-3-2-8-19-15(13)11-21-9-6-12(7-10-21)17-20-14-4-1-5-16(14)24-17/h2-3,8,12H,1,4-7,9-11H2,(H,22,23)
InChIKeyPPYPNMLZYCVJCY-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.10
Rot. Bonds4

About 2-[[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid

2-[[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid (PubChem CID 138021359) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 2-[[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid
PubChem CID138021359
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name2-[[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1CN1CCC(c2nc3c(s2)CCC3)CC1
InChIInChI=1S/C18H21N3O2S/c22-18(23)13-3-2-8-19-15(13)11-21-9-6-12(7-10-21)17-20-14-4-1-5-16(14)24-17/h2-3,8,12H,1,4-7,9-11H2,(H,22,23)
InChIKeyPPYPNMLZYCVJCY-UHFFFAOYSA-N
XLogP3.10
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid (CID 138021359) is 2-[[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid is O=C(O)c1cccnc1CN1CCC(c2nc3c(s2)CCC3)CC1.
What is the InChIKey of 2-[[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid?
The InChIKey is PPYPNMLZYCVJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c22-18(23)13-3-2-8-19-15(13)11-21-9-6-12(7-10-21)17-20-14-4-1-5-16(14)24-17/h2-3,8,12H,1,4-7,9-11H2,(H,22,23).
What are the key properties of 2-[[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid?
2-[[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid has a molecular weight of 343.45 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 138021359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).