N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]propanamide

C18H21N3OS — CID 157313637

IUPACN-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C2=C(C)CCN(c3nccs3)C2)cc1
InChIInChI=1S/C18H21N3OS/c1-3-17(22)20-15-6-4-14(5-7-15)16-12-21(10-8-13(16)2)18-19-9-11-23-18/h4-7,9,11H,3,8,10,12H2,1-2H3,(H,20,22)
InChIKeyBDIHUMXYGJJHOR-UHFFFAOYSA-N
MW327.45 g/mol
LogP4.18
Rot. Bonds4

About N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]propanamide

N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]propanamide (PubChem CID 157313637) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]propanamide
PubChem CID157313637
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC NameN-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C2=C(C)CCN(c3nccs3)C2)cc1
InChIInChI=1S/C18H21N3OS/c1-3-17(22)20-15-6-4-14(5-7-15)16-12-21(10-8-13(16)2)18-19-9-11-23-18/h4-7,9,11H,3,8,10,12H2,1-2H3,(H,20,22)
InChIKeyBDIHUMXYGJJHOR-UHFFFAOYSA-N
XLogP4.18
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide
CID 45109849
2,4,6-trifluoro-N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;hydrochloride
CID 67159289
2-fluoro-6-hydroxy-N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide
CID 59785762
2-fluoro-4-methyl-N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide
CID 70451249
N-[3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]phenyl]propanamide
CID 75516708
N-(4-acetylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 17444873
N-(3,4-dichlorophenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 18136524
N-(4-pyrimidin-2-ylphenyl)propanamide
CID 137348877
N-[4-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-yl]phenyl]propanamide
CID 9422708
1-ethyl-3-[4-[4-[(3S)-3-methylmorpholin-4-yl]-7-(1,3-thiazol-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea
CID 67178584
N-(4-methylphenyl)-2-[2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]ethyl]sulfanylacetamide
CID 27701903
N-[4-(diethylamino)phenyl]-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 18137887

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]propanamide?
The IUPAC name of N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]propanamide (CID 157313637) is N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]propanamide.
What is the SMILES notation for N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]propanamide?
The canonical SMILES for N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]propanamide is CCC(=O)Nc1ccc(C2=C(C)CCN(c3nccs3)C2)cc1.
What is the InChIKey of N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]propanamide?
The InChIKey is BDIHUMXYGJJHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3OS/c1-3-17(22)20-15-6-4-14(5-7-15)16-12-21(10-8-13(16)2)18-19-9-11-23-18/h4-7,9,11H,3,8,10,12H2,1-2H3,(H,20,22).
What are the key properties of N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]propanamide?
N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]propanamide has a molecular weight of 327.45 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]propanamide is sourced from PubChem (CID 157313637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).