6-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]pyridine-2-carboxylic acid

C15H18N4O2S — CID 122049016

IUPAC6-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]pyridine-2-carboxylic acid
SMILESCc1nc(N2CCN(c3cccc(C(=O)O)n3)CC2)sc1C
InChIInChI=1S/C15H18N4O2S/c1-10-11(2)22-15(16-10)19-8-6-18(7-9-19)13-5-3-4-12(17-13)14(20)21/h3-5H,6-9H2,1-2H3,(H,20,21)
InChIKeyNXHMTCUGGJVWPM-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.18
Rot. Bonds3

About 6-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]pyridine-2-carboxylic acid

6-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]pyridine-2-carboxylic acid (PubChem CID 122049016) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 6-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]pyridine-2-carboxylic acid
PubChem CID122049016
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name6-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]pyridine-2-carboxylic acid
SMILESCc1nc(N2CCN(c3cccc(C(=O)O)n3)CC2)sc1C
InChIInChI=1S/C15H18N4O2S/c1-10-11(2)22-15(16-10)19-8-6-18(7-9-19)13-5-3-4-12(17-13)14(20)21/h3-5H,6-9H2,1-2H3,(H,20,21)
InChIKeyNXHMTCUGGJVWPM-UHFFFAOYSA-N
XLogP2.18
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-Methylpiperazin-1-yl)pyridine-2-carboxylic acid hydrochloride
CID 57444906
6-({Methyl[2-(4-methyl-1,3-thiazol-5-YL)ethyl]amino}methyl)pyridine-2-carboxylic acid
CID 122569179
3-Fluoro-4-(2-(pyridin-2-ylamino)thiazol-5-ylthio)picolinic acid
CID 59200423
6-[Methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]pyridine-2-carboxylic acid
CID 122048891
6-[4-[[2-(4-Fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]pyridine-2-carboxylic acid
CID 122053558
6-[2-[4-(Trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]pyridine-2-carboxylic acid
CID 122054067
6-[1-[4-(Trifluoromethyl)-1,3-thiazol-2-yl]propylamino]pyridine-2-carboxylic acid
CID 122054099
6-[3-[4-(Trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]pyridine-2-carboxylic acid
CID 122054479
6-[4-[5-(Trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]pyridine-2-carboxylic acid
CID 122055155
6-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methylamino]pyridine-2-carboxylic acid
CID 122055536
6-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl-methylamino]pyridine-2-carboxylic acid
CID 122055605
6-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]pyridine-2-carboxylic acid
CID 122055771

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]pyridine-2-carboxylic acid (CID 122049016) is 6-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]pyridine-2-carboxylic acid is Cc1nc(N2CCN(c3cccc(C(=O)O)n3)CC2)sc1C.
What is the InChIKey of 6-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]pyridine-2-carboxylic acid?
The InChIKey is NXHMTCUGGJVWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-10-11(2)22-15(16-10)19-8-6-18(7-9-19)13-5-3-4-12(17-13)14(20)21/h3-5H,6-9H2,1-2H3,(H,20,21).
What are the key properties of 6-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]pyridine-2-carboxylic acid?
6-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]pyridine-2-carboxylic acid has a molecular weight of 318.40 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 122049016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).