2-[tert-butyl(pyrimidin-2-yl)amino]-4-pyridin-2-yl-1,3-thiazole-5-carboxylic acid

C17H17N5O2S — CID 141362741

IUPAC2-[tert-butyl(pyrimidin-2-yl)amino]-4-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
SMILESCC(C)(C)N(c1ncccn1)c1nc(-c2ccccn2)c(C(=O)O)s1
InChIInChI=1S/C17H17N5O2S/c1-17(2,3)22(15-19-9-6-10-20-15)16-21-12(13(25-16)14(23)24)11-7-4-5-8-18-11/h4-10H,1-3H3,(H,23,24)
InChIKeyQALKZZVKAUIUBZ-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.63
Rot. Bonds4

About 2-[tert-butyl(pyrimidin-2-yl)amino]-4-pyridin-2-yl-1,3-thiazole-5-carboxylic acid

2-[tert-butyl(pyrimidin-2-yl)amino]-4-pyridin-2-yl-1,3-thiazole-5-carboxylic acid (PubChem CID 141362741) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is 2-[tert-butyl(pyrimidin-2-yl)amino]-4-pyridin-2-yl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[tert-butyl(pyrimidin-2-yl)amino]-4-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
PubChem CID141362741
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC Name2-[tert-butyl(pyrimidin-2-yl)amino]-4-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
SMILESCC(C)(C)N(c1ncccn1)c1nc(-c2ccccn2)c(C(=O)O)s1
InChIInChI=1S/C17H17N5O2S/c1-17(2,3)22(15-19-9-6-10-20-15)16-21-12(13(25-16)14(23)24)11-7-4-5-8-18-11/h4-10H,1-3H3,(H,23,24)
InChIKeyQALKZZVKAUIUBZ-UHFFFAOYSA-N
XLogP3.63
TPSA92.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,4-dipyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 82227069
2-(4-methylphenyl)-4-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 82227040
2-(2-ethylbutanoylamino)-4-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 94970495
2-[(2-fluorophenyl)methyl]-4-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 94970777
5-acetyl-2-pyridin-2-yl-1,3-thiazole-4-carboxylic acid
CID 106696187
4-(4-aminophenyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 82227073
5-hydroxy-1-methyl-4-pyridin-2-ylimidazole-2-carboxylic acid
CID 136921451
2-pyridin-2-ylpyrimidine-5-carboxylic acid
CID 24903633
(E)-3-(4-pyridin-2-yl-2-pyridin-4-yl-1,3-thiazol-5-yl)but-2-enoic acid
CID 110447015
4-(2-methylpropyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 82227048
3-(chloromethyl)-5-pyridin-2-ylthiophene-2-carboxylic acid
CID 58387719
2-amino-5-pyridin-2-yl-1,3-thiazole-4-carboxylic acid
CID 53271783

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(pyrimidin-2-yl)amino]-4-pyridin-2-yl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[tert-butyl(pyrimidin-2-yl)amino]-4-pyridin-2-yl-1,3-thiazole-5-carboxylic acid (CID 141362741) is 2-[tert-butyl(pyrimidin-2-yl)amino]-4-pyridin-2-yl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[tert-butyl(pyrimidin-2-yl)amino]-4-pyridin-2-yl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[tert-butyl(pyrimidin-2-yl)amino]-4-pyridin-2-yl-1,3-thiazole-5-carboxylic acid is CC(C)(C)N(c1ncccn1)c1nc(-c2ccccn2)c(C(=O)O)s1.
What is the InChIKey of 2-[tert-butyl(pyrimidin-2-yl)amino]-4-pyridin-2-yl-1,3-thiazole-5-carboxylic acid?
The InChIKey is QALKZZVKAUIUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S/c1-17(2,3)22(15-19-9-6-10-20-15)16-21-12(13(25-16)14(23)24)11-7-4-5-8-18-11/h4-10H,1-3H3,(H,23,24).
What are the key properties of 2-[tert-butyl(pyrimidin-2-yl)amino]-4-pyridin-2-yl-1,3-thiazole-5-carboxylic acid?
2-[tert-butyl(pyrimidin-2-yl)amino]-4-pyridin-2-yl-1,3-thiazole-5-carboxylic acid has a molecular weight of 355.42 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(pyrimidin-2-yl)amino]-4-pyridin-2-yl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 141362741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).