N-[4-[1-[3-(3-methoxyphenyl)prop-2-enyl]-3,6-dihydro-2H-pyridin-5-yl]-1,3-thiazol-2-yl]acetamide

C20H23N3O2S — CID 88654002

IUPACN-[4-[1-[3-(3-methoxyphenyl)prop-2-enyl]-3,6-dihydro-2H-pyridin-5-yl]-1,3-thiazol-2-yl]acetamide
SMILESCOc1cccc(C=CCN2CCC=C(c3csc(NC(C)=O)n3)C2)c1
InChIInChI=1S/C20H23N3O2S/c1-15(24)21-20-22-19(14-26-20)17-8-5-11-23(13-17)10-4-7-16-6-3-9-18(12-16)25-2/h3-4,6-9,12,14H,5,10-11,13H2,1-2H3,(H,21,22,24)
InChIKeyKMVMKRGQKZYTJU-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.91
Rot. Bonds6

About N-[4-[1-[3-(3-methoxyphenyl)prop-2-enyl]-3,6-dihydro-2H-pyridin-5-yl]-1,3-thiazol-2-yl]acetamide

N-[4-[1-[3-(3-methoxyphenyl)prop-2-enyl]-3,6-dihydro-2H-pyridin-5-yl]-1,3-thiazol-2-yl]acetamide (PubChem CID 88654002) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[4-[1-[3-(3-methoxyphenyl)prop-2-enyl]-3,6-dihydro-2H-pyridin-5-yl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[1-[3-(3-methoxyphenyl)prop-2-enyl]-3,6-dihydro-2H-pyridin-5-yl]-1,3-thiazol-2-yl]acetamide
PubChem CID88654002
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC NameN-[4-[1-[3-(3-methoxyphenyl)prop-2-enyl]-3,6-dihydro-2H-pyridin-5-yl]-1,3-thiazol-2-yl]acetamide
SMILESCOc1cccc(C=CCN2CCC=C(c3csc(NC(C)=O)n3)C2)c1
InChIInChI=1S/C20H23N3O2S/c1-15(24)21-20-22-19(14-26-20)17-8-5-11-23(13-17)10-4-7-16-6-3-9-18(12-16)25-2/h3-4,6-9,12,14H,5,10-11,13H2,1-2H3,(H,21,22,24)
InChIKeyKMVMKRGQKZYTJU-UHFFFAOYSA-N
XLogP3.91
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 24593769
3-(4-methoxyphenyl)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 4564383
(E)-3-[3-(2,2-difluoroethoxy)phenyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 87722701
N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-3-(3-nitrophenyl)prop-2-enamide
CID 3630443
2-(3-aminophenyl)sulfanyl-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 18894483
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 7213251
3-(4-chlorophenyl)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 4674865
1-[(E)-but-1-enyl]-3-methoxybenzene
CID 5382989
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 2090704
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(3-fluorophenyl)prop-2-enamide
CID 4815640
2-(3-methoxyphenyl)-N-[4-[2-(methylamino)-4-pyridinyl]-1,3-thiazol-2-yl]acetamide
CID 24829572
N-[3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84565354

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[3-(3-methoxyphenyl)prop-2-enyl]-3,6-dihydro-2H-pyridin-5-yl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[1-[3-(3-methoxyphenyl)prop-2-enyl]-3,6-dihydro-2H-pyridin-5-yl]-1,3-thiazol-2-yl]acetamide (CID 88654002) is N-[4-[1-[3-(3-methoxyphenyl)prop-2-enyl]-3,6-dihydro-2H-pyridin-5-yl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[1-[3-(3-methoxyphenyl)prop-2-enyl]-3,6-dihydro-2H-pyridin-5-yl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[1-[3-(3-methoxyphenyl)prop-2-enyl]-3,6-dihydro-2H-pyridin-5-yl]-1,3-thiazol-2-yl]acetamide is COc1cccc(C=CCN2CCC=C(c3csc(NC(C)=O)n3)C2)c1.
What is the InChIKey of N-[4-[1-[3-(3-methoxyphenyl)prop-2-enyl]-3,6-dihydro-2H-pyridin-5-yl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is KMVMKRGQKZYTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-15(24)21-20-22-19(14-26-20)17-8-5-11-23(13-17)10-4-7-16-6-3-9-18(12-16)25-2/h3-4,6-9,12,14H,5,10-11,13H2,1-2H3,(H,21,22,24).
What are the key properties of N-[4-[1-[3-(3-methoxyphenyl)prop-2-enyl]-3,6-dihydro-2H-pyridin-5-yl]-1,3-thiazol-2-yl]acetamide?
N-[4-[1-[3-(3-methoxyphenyl)prop-2-enyl]-3,6-dihydro-2H-pyridin-5-yl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 369.49 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[3-(3-methoxyphenyl)prop-2-enyl]-3,6-dihydro-2H-pyridin-5-yl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 88654002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).