2-[[(2-methylpyrimidin-4-yl)amino]methyl]-1,3-thiazole-4-carboxylic acid

C10H10N4O2S — CID 66379144

IUPAC2-[[(2-methylpyrimidin-4-yl)amino]methyl]-1,3-thiazole-4-carboxylic acid
SMILESCc1nccc(NCc2nc(C(=O)O)cs2)n1
InChIInChI=1S/C10H10N4O2S/c1-6-11-3-2-8(13-6)12-4-9-14-7(5-17-9)10(15)16/h2-3,5H,4H2,1H3,(H,15,16)(H,11,12,13)
InChIKeyQQZMDVNRJYZLMX-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.55
Rot. Bonds4

About 2-[[(2-methylpyrimidin-4-yl)amino]methyl]-1,3-thiazole-4-carboxylic acid

2-[[(2-methylpyrimidin-4-yl)amino]methyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 66379144) has the molecular formula C10H10N4O2S and a molecular weight of 250.28 g/mol. Its IUPAC name is 2-[[(2-methylpyrimidin-4-yl)amino]methyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[[(2-methylpyrimidin-4-yl)amino]methyl]-1,3-thiazole-4-carboxylic acid
PubChem CID66379144
Molecular FormulaC10H10N4O2S
Molecular Weight250.28 g/mol
Exact Mass250.05
IUPAC Name2-[[(2-methylpyrimidin-4-yl)amino]methyl]-1,3-thiazole-4-carboxylic acid
SMILESCc1nccc(NCc2nc(C(=O)O)cs2)n1
InChIInChI=1S/C10H10N4O2S/c1-6-11-3-2-8(13-6)12-4-9-14-7(5-17-9)10(15)16/h2-3,5H,4H2,1H3,(H,15,16)(H,11,12,13)
InChIKeyQQZMDVNRJYZLMX-UHFFFAOYSA-N
XLogP1.55
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[(5-methylpyrimidin-2-yl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66378949
2-[[(3-methyl-4-pyridinyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380116
2-[[(3-methylpyridine-2-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379682
2-[[(2-methoxycarbonyl-6-methylpyrimidin-4-yl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379336
2-[[(3-carbamoyl-2-pyridinyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379723
2-[[(3-carbamoyl-6-methyl-2-pyridinyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66381269
2-[[(2-methylpyrazole-3-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379887
2-[[(3-methoxycarbonyl-2-pyridinyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379533
2-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 113446158
2-[[(2-amino-2-methylpropanoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379345
2-[(propylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66380294
2-[(4-carbamoyl-3-methylanilino)methyl]-1,3-thiazole-4-carboxylic acid
CID 81273300

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-methylpyrimidin-4-yl)amino]methyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[[(2-methylpyrimidin-4-yl)amino]methyl]-1,3-thiazole-4-carboxylic acid (CID 66379144) is 2-[[(2-methylpyrimidin-4-yl)amino]methyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[[(2-methylpyrimidin-4-yl)amino]methyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[[(2-methylpyrimidin-4-yl)amino]methyl]-1,3-thiazole-4-carboxylic acid is Cc1nccc(NCc2nc(C(=O)O)cs2)n1.
What is the InChIKey of 2-[[(2-methylpyrimidin-4-yl)amino]methyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is QQZMDVNRJYZLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2S/c1-6-11-3-2-8(13-6)12-4-9-14-7(5-17-9)10(15)16/h2-3,5H,4H2,1H3,(H,15,16)(H,11,12,13).
What are the key properties of 2-[[(2-methylpyrimidin-4-yl)amino]methyl]-1,3-thiazole-4-carboxylic acid?
2-[[(2-methylpyrimidin-4-yl)amino]methyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 250.28 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-methylpyrimidin-4-yl)amino]methyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 66379144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).