2-[[methyl-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]amino]methyl]-1,3-thiazole-4-carboxylic acid

C20H18N6O2S2 — CID 58706901

IUPAC2-[[methyl-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]amino]methyl]-1,3-thiazole-4-carboxylic acid
SMILESCc1ccnc(Nc2cccc(-c3cnc(N(C)Cc4nc(C(=O)O)cs4)s3)n2)c1
InChIInChI=1S/C20H18N6O2S2/c1-12-6-7-21-17(8-12)25-16-5-3-4-13(23-16)15-9-22-20(30-15)26(2)10-18-24-14(11-29-18)19(27)28/h3-9,11H,10H2,1-2H3,(H,27,28)(H,21,23,25)
InChIKeyLQLDTKMLSDERDO-UHFFFAOYSA-N
MW438.54 g/mol
LogP4.44
Rot. Bonds7

About 2-[[methyl-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]amino]methyl]-1,3-thiazole-4-carboxylic acid

2-[[methyl-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]amino]methyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 58706901) has the molecular formula C20H18N6O2S2 and a molecular weight of 438.54 g/mol. Its IUPAC name is 2-[[methyl-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]amino]methyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[[methyl-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]amino]methyl]-1,3-thiazole-4-carboxylic acid
PubChem CID58706901
Molecular FormulaC20H18N6O2S2
Molecular Weight438.54 g/mol
Exact Mass438.09
IUPAC Name2-[[methyl-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]amino]methyl]-1,3-thiazole-4-carboxylic acid
SMILESCc1ccnc(Nc2cccc(-c3cnc(N(C)Cc4nc(C(=O)O)cs4)s3)n2)c1
InChIInChI=1S/C20H18N6O2S2/c1-12-6-7-21-17(8-12)25-16-5-3-4-13(23-16)15-9-22-20(30-15)26(2)10-18-24-14(11-29-18)19(27)28/h3-9,11H,10H2,1-2H3,(H,27,28)(H,21,23,25)
InChIKeyLQLDTKMLSDERDO-UHFFFAOYSA-N
XLogP4.44
TPSA104.13 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.54
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Launch Full Analysis

Related Compounds

5-[methyl-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]amino]pentanoic acid
CID 58706934
[4-[2-[methyl-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]amino]ethyl]phenyl]methanediol
CID 163769540
2-[4-[methyl-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]amino]cyclohexyl]acetic acid
CID 58706686
5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-N,N-bis(prop-2-enyl)-1,3-thiazol-2-amine
CID 58707057
4-[methyl-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]amino]cyclohexane-1-carboxamide
CID 58707212
2-hydroxy-2,7-dimethyl-6-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]octan-4-one
CID 143286731
N-(4-methyl-2-pyridinyl)-6-[2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]pyridin-2-amine
CID 58706589
1-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one
CID 58706740
ethyl 3-methyl-3-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]butanoate
CID 58706765
N-benzyl-5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-amine
CID 58707124
1-[4-[2-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]piperidin-1-yl]ethanone
CID 58706583
2-(4-hydroxyphenyl)-N-[(1S)-1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]acetamide
CID 58706708

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]amino]methyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[[methyl-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]amino]methyl]-1,3-thiazole-4-carboxylic acid (CID 58706901) is 2-[[methyl-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]amino]methyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[[methyl-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]amino]methyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[[methyl-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]amino]methyl]-1,3-thiazole-4-carboxylic acid is Cc1ccnc(Nc2cccc(-c3cnc(N(C)Cc4nc(C(=O)O)cs4)s3)n2)c1.
What is the InChIKey of 2-[[methyl-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]amino]methyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is LQLDTKMLSDERDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2S2/c1-12-6-7-21-17(8-12)25-16-5-3-4-13(23-16)15-9-22-20(30-15)26(2)10-18-24-14(11-29-18)19(27)28/h3-9,11H,10H2,1-2H3,(H,27,28)(H,21,23,25).
What are the key properties of 2-[[methyl-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]amino]methyl]-1,3-thiazole-4-carboxylic acid?
2-[[methyl-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]amino]methyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 438.54 g/mol, XLogP of 4.44, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]amino]methyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 58706901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).