2-[[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid

C13H16N6O2S — CID 87641079

IUPAC2-[[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid
SMILESCN1CCN(c2cc(Nc3ncc(C(=O)O)s3)ncn2)CC1
InChIInChI=1S/C13H16N6O2S/c1-18-2-4-19(5-3-18)11-6-10(15-8-16-11)17-13-14-7-9(22-13)12(20)21/h6-8H,2-5H2,1H3,(H,20,21)(H,14,15,16,17)
InChIKeyBPQZMGYNQWPQBW-UHFFFAOYSA-N
MW320.38 g/mol
LogP1.13
Rot. Bonds4

About 2-[[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid

2-[[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid (PubChem CID 87641079) has the molecular formula C13H16N6O2S and a molecular weight of 320.38 g/mol. Its IUPAC name is 2-[[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid
PubChem CID87641079
Molecular FormulaC13H16N6O2S
Molecular Weight320.38 g/mol
Exact Mass320.11
IUPAC Name2-[[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid
SMILESCN1CCN(c2cc(Nc3ncc(C(=O)O)s3)ncn2)CC1
InChIInChI=1S/C13H16N6O2S/c1-18-2-4-19(5-3-18)11-6-10(15-8-16-11)17-13-14-7-9(22-13)12(20)21/h6-8H,2-5H2,1H3,(H,20,21)(H,14,15,16,17)
InChIKeyBPQZMGYNQWPQBW-UHFFFAOYSA-N
XLogP1.13
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid with MolForge

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Related Compounds

6-(4-methylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 112857972
[4-[6-[(5-carboxy-1,3-thiazol-2-yl)amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]-cyclopropyl-ethylideneazanium
CID 131986491
1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-phenylurea
CID 90544020
2-[[6-[4-(2-diethoxyphosphorylethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid
CID 25118706
N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrimidine-2-carboxamide
CID 90543989
5-methyl-N-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 139474272
2-[[6-[4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile
CID 21059965
2-[[6-(benzylamino)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid
CID 141349337
2-[[2-methyl-6-[4-[(3-oxocyclopenten-1-yl)amino]piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid
CID 131986506
N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
CID 75989634
N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrazine-2-carboxamide
CID 71794816
2-[(1-methylpiperidin-4-yl)amino]-1,3-thiazole-5-carboxylic acid
CID 80572046

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid (CID 87641079) is 2-[[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid is CN1CCN(c2cc(Nc3ncc(C(=O)O)s3)ncn2)CC1.
What is the InChIKey of 2-[[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid?
The InChIKey is BPQZMGYNQWPQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O2S/c1-18-2-4-19(5-3-18)11-6-10(15-8-16-11)17-13-14-7-9(22-13)12(20)21/h6-8H,2-5H2,1H3,(H,20,21)(H,14,15,16,17).
What are the key properties of 2-[[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid?
2-[[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid has a molecular weight of 320.38 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 87641079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).