3-[hydroxy(1,3-thiazol-2-yl)methyl]-5-(5-methyl-2-pyridinyl)-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]benzamide

C24H23N5O2S — CID 58188000

IUPAC3-[hydroxy(1,3-thiazol-2-yl)methyl]-5-(5-methyl-2-pyridinyl)-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]benzamide
SMILESCc1ccc(-c2cc(C(=O)N[C@H](C)c3cnc(C)nc3)cc(C(O)c3nccs3)c2)nc1
InChIInChI=1S/C24H23N5O2S/c1-14-4-5-21(28-11-14)17-8-18(22(30)24-25-6-7-32-24)10-19(9-17)23(31)29-15(2)20-12-26-16(3)27-13-20/h4-13,15,22,30H,1-3H3,(H,29,31)/t15-,22?/m1/s1
InChIKeyWSEUJSLLZNXTGV-JGHKVMFLSA-N
MW445.55 g/mol
LogP4.18
Rot. Bonds6

About 3-[hydroxy(1,3-thiazol-2-yl)methyl]-5-(5-methyl-2-pyridinyl)-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]benzamide

3-[hydroxy(1,3-thiazol-2-yl)methyl]-5-(5-methyl-2-pyridinyl)-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]benzamide (PubChem CID 58188000) has the molecular formula C24H23N5O2S and a molecular weight of 445.55 g/mol. Its IUPAC name is 3-[hydroxy(1,3-thiazol-2-yl)methyl]-5-(5-methyl-2-pyridinyl)-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-[hydroxy(1,3-thiazol-2-yl)methyl]-5-(5-methyl-2-pyridinyl)-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]benzamide
PubChem CID58188000
Molecular FormulaC24H23N5O2S
Molecular Weight445.55 g/mol
Exact Mass445.16
IUPAC Name3-[hydroxy(1,3-thiazol-2-yl)methyl]-5-(5-methyl-2-pyridinyl)-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]benzamide
SMILESCc1ccc(-c2cc(C(=O)N[C@H](C)c3cnc(C)nc3)cc(C(O)c3nccs3)c2)nc1
InChIInChI=1S/C24H23N5O2S/c1-14-4-5-21(28-11-14)17-8-18(22(30)24-25-6-7-32-24)10-19(9-17)23(31)29-15(2)20-12-26-16(3)27-13-20/h4-13,15,22,30H,1-3H3,(H,29,31)/t15-,22?/m1/s1
InChIKeyWSEUJSLLZNXTGV-JGHKVMFLSA-N
XLogP4.18
TPSA100.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.55
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[hydroxy(1,3-thiazol-2-yl)methyl]-5-(5-methyl-2-pyridinyl)-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]benzamide?
The IUPAC name of 3-[hydroxy(1,3-thiazol-2-yl)methyl]-5-(5-methyl-2-pyridinyl)-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]benzamide (CID 58188000) is 3-[hydroxy(1,3-thiazol-2-yl)methyl]-5-(5-methyl-2-pyridinyl)-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]benzamide.
What is the SMILES notation for 3-[hydroxy(1,3-thiazol-2-yl)methyl]-5-(5-methyl-2-pyridinyl)-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]benzamide?
The canonical SMILES for 3-[hydroxy(1,3-thiazol-2-yl)methyl]-5-(5-methyl-2-pyridinyl)-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]benzamide is Cc1ccc(-c2cc(C(=O)N[C@H](C)c3cnc(C)nc3)cc(C(O)c3nccs3)c2)nc1.
What is the InChIKey of 3-[hydroxy(1,3-thiazol-2-yl)methyl]-5-(5-methyl-2-pyridinyl)-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]benzamide?
The InChIKey is WSEUJSLLZNXTGV-JGHKVMFLSA-N. The full InChI is InChI=1S/C24H23N5O2S/c1-14-4-5-21(28-11-14)17-8-18(22(30)24-25-6-7-32-24)10-19(9-17)23(31)29-15(2)20-12-26-16(3)27-13-20/h4-13,15,22,30H,1-3H3,(H,29,31)/t15-,22?/m1/s1.
What are the key properties of 3-[hydroxy(1,3-thiazol-2-yl)methyl]-5-(5-methyl-2-pyridinyl)-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]benzamide?
3-[hydroxy(1,3-thiazol-2-yl)methyl]-5-(5-methyl-2-pyridinyl)-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]benzamide has a molecular weight of 445.55 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[hydroxy(1,3-thiazol-2-yl)methyl]-5-(5-methyl-2-pyridinyl)-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]benzamide is sourced from PubChem (CID 58188000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).