2-pyridin-2-yl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole-4-carboxylic acid

C14H15N3O2S — CID 82069071

IUPAC2-pyridin-2-yl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1nc(-c2ccccn2)sc1CN1CCCC1
InChIInChI=1S/C14H15N3O2S/c18-14(19)12-11(9-17-7-3-4-8-17)20-13(16-12)10-5-1-2-6-15-10/h1-2,5-6H,3-4,7-9H2,(H,18,19)
InChIKeyGYVOJVREGKPPGS-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.50
Rot. Bonds4

About 2-pyridin-2-yl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole-4-carboxylic acid

2-pyridin-2-yl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 82069071) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 2-pyridin-2-yl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-pyridin-2-yl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole-4-carboxylic acid
PubChem CID82069071
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name2-pyridin-2-yl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1nc(-c2ccccn2)sc1CN1CCCC1
InChIInChI=1S/C14H15N3O2S/c18-14(19)12-11(9-17-7-3-4-8-17)20-13(16-12)10-5-1-2-6-15-10/h1-2,5-6H,3-4,7-9H2,(H,18,19)
InChIKeyGYVOJVREGKPPGS-UHFFFAOYSA-N
XLogP2.50
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-2-pyridin-2-yl-1,3-thiazole-4-carboxylic acid
CID 83707486
5-acetyl-2-pyridin-2-yl-1,3-thiazole-4-carboxylic acid
CID 106696187
1-(azepan-1-yl)-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethanone
CID 110328975
2-phenyl-5-(pyrrolidin-1-ylmethyl)-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 46245134
1-[(5-pyridin-2-ylthiophen-2-yl)methyl]azepane
CID 18700032
3-(4-ethyl-2-pyridin-2-yl-1,3-thiazol-5-yl)propanoic acid
CID 82428678
2,4-dipyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 82227069
4-(2-phenylethyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 94970731
1-(4-hydroxy-2-pyridin-2-yl-1,3-thiazol-5-yl)propan-1-one
CID 136993019
methyl-[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]carbamic acid
CID 66989505
2-amino-5-pyridin-2-yl-1,3-thiazole-4-carboxylic acid
CID 53271783
4-(2-methylpropyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 82227048

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-pyridin-2-yl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole-4-carboxylic acid (CID 82069071) is 2-pyridin-2-yl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-pyridin-2-yl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-pyridin-2-yl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole-4-carboxylic acid is O=C(O)c1nc(-c2ccccn2)sc1CN1CCCC1.
What is the InChIKey of 2-pyridin-2-yl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is GYVOJVREGKPPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c18-14(19)12-11(9-17-7-3-4-8-17)20-13(16-12)10-5-1-2-6-15-10/h1-2,5-6H,3-4,7-9H2,(H,18,19).
What are the key properties of 2-pyridin-2-yl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole-4-carboxylic acid?
2-pyridin-2-yl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 289.36 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 82069071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).