N-(4-tert-butylphenyl)-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridine-4-carboxamide

C19H23N3OS — CID 44580003

IUPACN-(4-tert-butylphenyl)-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)C2=CCN(c3nccs3)CC2)cc1
InChIInChI=1S/C19H23N3OS/c1-19(2,3)15-4-6-16(7-5-15)21-17(23)14-8-11-22(12-9-14)18-20-10-13-24-18/h4-8,10,13H,9,11-12H2,1-3H3,(H,21,23)
InChIKeyRCIJBRRAWAKJIL-UHFFFAOYSA-N
MW341.48 g/mol
LogP4.22
Rot. Bonds3

About N-(4-tert-butylphenyl)-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridine-4-carboxamide

N-(4-tert-butylphenyl)-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridine-4-carboxamide (PubChem CID 44580003) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridine-4-carboxamide
PubChem CID44580003
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC NameN-(4-tert-butylphenyl)-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)C2=CCN(c3nccs3)CC2)cc1
InChIInChI=1S/C19H23N3OS/c1-19(2,3)15-4-6-16(7-5-15)21-17(23)14-8-11-22(12-9-14)18-20-10-13-24-18/h4-8,10,13H,9,11-12H2,1-3H3,(H,21,23)
InChIKeyRCIJBRRAWAKJIL-UHFFFAOYSA-N
XLogP4.22
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 9902100
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1-(4-Methylphenyl)-3-(1,3-thiazol-2-yl)urea
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4-(dimethylamino)-N-(thiazol-2-yl)benzamide
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2-methyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
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CID 2065544
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N-(Benzylcarbamoyl-methyl)-N'-thiazol-2-yl-N-o-tolyl-succinamide
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4-(3-methylbutyrylamino)-N-thiazol-2-ylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridine-4-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridine-4-carboxamide (CID 44580003) is N-(4-tert-butylphenyl)-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridine-4-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridine-4-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridine-4-carboxamide is CC(C)(C)c1ccc(NC(=O)C2=CCN(c3nccs3)CC2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridine-4-carboxamide?
The InChIKey is RCIJBRRAWAKJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3OS/c1-19(2,3)15-4-6-16(7-5-15)21-17(23)14-8-11-22(12-9-14)18-20-10-13-24-18/h4-8,10,13H,9,11-12H2,1-3H3,(H,21,23).
What are the key properties of N-(4-tert-butylphenyl)-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridine-4-carboxamide?
N-(4-tert-butylphenyl)-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridine-4-carboxamide has a molecular weight of 341.48 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridine-4-carboxamide is sourced from PubChem (CID 44580003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).