4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-N-(1,3-thiazol-2-yl)benzamide

C20H16N6O2S — CID 71603054

IUPAC4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-N-(1,3-thiazol-2-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nccs2)cc1Nc1nccc(-c2cccnc2)n1
InChIInChI=1S/C20H16N6O2S/c1-28-17-5-4-13(18(27)26-20-23-9-10-29-20)11-16(17)25-19-22-8-6-15(24-19)14-3-2-7-21-12-14/h2-12H,1H3,(H,22,24,25)(H,23,26,27)
InChIKeyDIZCOWFZHJWMBP-UHFFFAOYSA-N
MW404.46 g/mol
LogP4.00
Rot. Bonds6

About 4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-N-(1,3-thiazol-2-yl)benzamide

4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 71603054) has the molecular formula C20H16N6O2S and a molecular weight of 404.46 g/mol. Its IUPAC name is 4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-N-(1,3-thiazol-2-yl)benzamide
PubChem CID71603054
Molecular FormulaC20H16N6O2S
Molecular Weight404.46 g/mol
Exact Mass404.11
IUPAC Name4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-N-(1,3-thiazol-2-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nccs2)cc1Nc1nccc(-c2cccnc2)n1
InChIInChI=1S/C20H16N6O2S/c1-28-17-5-4-13(18(27)26-20-23-9-10-29-20)11-16(17)25-19-22-8-6-15(24-19)14-3-2-7-21-12-14/h2-12H,1H3,(H,22,24,25)(H,23,26,27)
InChIKeyDIZCOWFZHJWMBP-UHFFFAOYSA-N
XLogP4.00
TPSA101.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.46
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-N-(1,3-thiazol-2-yl)benzamide (CID 71603054) is 4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-N-(1,3-thiazol-2-yl)benzamide is COc1ccc(C(=O)Nc2nccs2)cc1Nc1nccc(-c2cccnc2)n1.
What is the InChIKey of 4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is DIZCOWFZHJWMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O2S/c1-28-17-5-4-13(18(27)26-20-23-9-10-29-20)11-16(17)25-19-22-8-6-15(24-19)14-3-2-7-21-12-14/h2-12H,1H3,(H,22,24,25)(H,23,26,27).
What are the key properties of 4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-N-(1,3-thiazol-2-yl)benzamide?
4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 404.46 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 71603054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).