4-(4-hydroxyphenyl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)-3,6-dihydro-2H-pyridine-1-carboxamide

C22H23N3O2S — CID 71884392

IUPAC4-(4-hydroxyphenyl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC(C)c1nc2ccc(NC(=O)N3CC=C(c4ccc(O)cc4)CC3)cc2s1
InChIInChI=1S/C22H23N3O2S/c1-14(2)21-24-19-8-5-17(13-20(19)28-21)23-22(27)25-11-9-16(10-12-25)15-3-6-18(26)7-4-15/h3-9,13-14,26H,10-12H2,1-2H3,(H,23,27)
InChIKeyCLSVJHGAWWUQCV-UHFFFAOYSA-N
MW393.51 g/mol
LogP5.45
Rot. Bonds3

About 4-(4-hydroxyphenyl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)-3,6-dihydro-2H-pyridine-1-carboxamide

4-(4-hydroxyphenyl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 71884392) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID71884392
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC Name4-(4-hydroxyphenyl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC(C)c1nc2ccc(NC(=O)N3CC=C(c4ccc(O)cc4)CC3)cc2s1
InChIInChI=1S/C22H23N3O2S/c1-14(2)21-24-19-8-5-17(13-20(19)28-21)23-22(27)25-11-9-16(10-12-25)15-3-6-18(26)7-4-15/h3-9,13-14,26H,10-12H2,1-2H3,(H,23,27)
InChIKeyCLSVJHGAWWUQCV-UHFFFAOYSA-N
XLogP5.45
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.51
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of 4-(4-hydroxyphenyl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)-3,6-dihydro-2H-pyridine-1-carboxamide (CID 71884392) is 4-(4-hydroxyphenyl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for 4-(4-hydroxyphenyl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for 4-(4-hydroxyphenyl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)-3,6-dihydro-2H-pyridine-1-carboxamide is CC(C)c1nc2ccc(NC(=O)N3CC=C(c4ccc(O)cc4)CC3)cc2s1.
What is the InChIKey of 4-(4-hydroxyphenyl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is CLSVJHGAWWUQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-14(2)21-24-19-8-5-17(13-20(19)28-21)23-22(27)25-11-9-16(10-12-25)15-3-6-18(26)7-4-15/h3-9,13-14,26H,10-12H2,1-2H3,(H,23,27).
What are the key properties of 4-(4-hydroxyphenyl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
4-(4-hydroxyphenyl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 393.51 g/mol, XLogP of 5.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 71884392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).