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

C27H25ClN4OS — CID 18446680

IUPACN-[4-[4-(3-chlorophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide
SMILESCN1CCC(c2nc(-c3cccc(Cl)c3)c(-c3ccnc(NC(=O)c4ccccc4)c3)s2)CC1
InChIInChI=1S/C27H25ClN4OS/c1-32-14-11-19(12-15-32)27-31-24(20-8-5-9-22(28)16-20)25(34-27)21-10-13-29-23(17-21)30-26(33)18-6-3-2-4-7-18/h2-10,13,16-17,19H,11-12,14-15H2,1H3,(H,29,30,33)
InChIKeyAZRHAFJRJLPQFJ-UHFFFAOYSA-N
MW489.04 g/mol
LogP6.59
Rot. Bonds5

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

N-[4-[4-(3-chlorophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide (PubChem CID 18446680) has the molecular formula C27H25ClN4OS and a molecular weight of 489.04 g/mol. Its IUPAC name is N-[4-[4-(3-chlorophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[4-[4-(3-chlorophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide
PubChem CID18446680
Molecular FormulaC27H25ClN4OS
Molecular Weight489.04 g/mol
Exact Mass488.14
IUPAC NameN-[4-[4-(3-chlorophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide
SMILESCN1CCC(c2nc(-c3cccc(Cl)c3)c(-c3ccnc(NC(=O)c4ccccc4)c3)s2)CC1
InChIInChI=1S/C27H25ClN4OS/c1-32-14-11-19(12-15-32)27-31-24(20-8-5-9-22(28)16-20)25(34-27)21-10-13-29-23(17-21)30-26(33)18-6-3-2-4-7-18/h2-10,13,16-17,19H,11-12,14-15H2,1H3,(H,29,30,33)
InChIKeyAZRHAFJRJLPQFJ-UHFFFAOYSA-N
XLogP6.59
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.04
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-chlorophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide?
The IUPAC name of N-[4-[4-(3-chlorophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide (CID 18446680) is N-[4-[4-(3-chlorophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide.
What is the SMILES notation for N-[4-[4-(3-chlorophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide?
The canonical SMILES for N-[4-[4-(3-chlorophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide is CN1CCC(c2nc(-c3cccc(Cl)c3)c(-c3ccnc(NC(=O)c4ccccc4)c3)s2)CC1.
What is the InChIKey of N-[4-[4-(3-chlorophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide?
The InChIKey is AZRHAFJRJLPQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClN4OS/c1-32-14-11-19(12-15-32)27-31-24(20-8-5-9-22(28)16-20)25(34-27)21-10-13-29-23(17-21)30-26(33)18-6-3-2-4-7-18/h2-10,13,16-17,19H,11-12,14-15H2,1H3,(H,29,30,33).
What are the key properties of N-[4-[4-(3-chlorophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide?
N-[4-[4-(3-chlorophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide has a molecular weight of 489.04 g/mol, XLogP of 6.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-chlorophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 18446680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).