N-[4-[4-(3-methylphenyl)-2-propyl-1,3-thiazol-5-yl]-2-pyridinyl]benzamide

C25H23N3OS — CID 10179981

IUPACN-[4-[4-(3-methylphenyl)-2-propyl-1,3-thiazol-5-yl]-2-pyridinyl]benzamide
SMILESCCCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1
InChIInChI=1S/C25H23N3OS/c1-3-8-22-28-23(19-12-7-9-17(2)15-19)24(30-22)20-13-14-26-21(16-20)27-25(29)18-10-5-4-6-11-18/h4-7,9-16H,3,8H2,1-2H3,(H,26,27,29)
InChIKeyOFRAIZACHYVYMG-UHFFFAOYSA-N
MW413.55 g/mol
LogP6.39
Rot. Bonds6

About N-[4-[4-(3-methylphenyl)-2-propyl-1,3-thiazol-5-yl]-2-pyridinyl]benzamide

N-[4-[4-(3-methylphenyl)-2-propyl-1,3-thiazol-5-yl]-2-pyridinyl]benzamide (PubChem CID 10179981) has the molecular formula C25H23N3OS and a molecular weight of 413.55 g/mol. Its IUPAC name is N-[4-[4-(3-methylphenyl)-2-propyl-1,3-thiazol-5-yl]-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[4-[4-(3-methylphenyl)-2-propyl-1,3-thiazol-5-yl]-2-pyridinyl]benzamide
PubChem CID10179981
Molecular FormulaC25H23N3OS
Molecular Weight413.55 g/mol
Exact Mass413.16
IUPAC NameN-[4-[4-(3-methylphenyl)-2-propyl-1,3-thiazol-5-yl]-2-pyridinyl]benzamide
SMILESCCCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1
InChIInChI=1S/C25H23N3OS/c1-3-8-22-28-23(19-12-7-9-17(2)15-19)24(30-22)20-13-14-26-21(16-20)27-25(29)18-10-5-4-6-11-18/h4-7,9-16H,3,8H2,1-2H3,(H,26,27,29)
InChIKeyOFRAIZACHYVYMG-UHFFFAOYSA-N
XLogP6.39
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.55
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-methylphenyl)-2-propyl-1,3-thiazol-5-yl]-2-pyridinyl]benzamide?
The IUPAC name of N-[4-[4-(3-methylphenyl)-2-propyl-1,3-thiazol-5-yl]-2-pyridinyl]benzamide (CID 10179981) is N-[4-[4-(3-methylphenyl)-2-propyl-1,3-thiazol-5-yl]-2-pyridinyl]benzamide.
What is the SMILES notation for N-[4-[4-(3-methylphenyl)-2-propyl-1,3-thiazol-5-yl]-2-pyridinyl]benzamide?
The canonical SMILES for N-[4-[4-(3-methylphenyl)-2-propyl-1,3-thiazol-5-yl]-2-pyridinyl]benzamide is CCCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1.
What is the InChIKey of N-[4-[4-(3-methylphenyl)-2-propyl-1,3-thiazol-5-yl]-2-pyridinyl]benzamide?
The InChIKey is OFRAIZACHYVYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3OS/c1-3-8-22-28-23(19-12-7-9-17(2)15-19)24(30-22)20-13-14-26-21(16-20)27-25(29)18-10-5-4-6-11-18/h4-7,9-16H,3,8H2,1-2H3,(H,26,27,29).
What are the key properties of N-[4-[4-(3-methylphenyl)-2-propyl-1,3-thiazol-5-yl]-2-pyridinyl]benzamide?
N-[4-[4-(3-methylphenyl)-2-propyl-1,3-thiazol-5-yl]-2-pyridinyl]benzamide has a molecular weight of 413.55 g/mol, XLogP of 6.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-methylphenyl)-2-propyl-1,3-thiazol-5-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 10179981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).