(4-ethyl-2-methyl-1,3-thiazol-5-yl)-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone

C20H21N3OS — CID 71705869

IUPAC(4-ethyl-2-methyl-1,3-thiazol-5-yl)-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCCc1nc(C)sc1C(=O)N1CC=C(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C20H21N3OS/c1-3-17-19(25-13(2)22-17)20(24)23-10-8-14(9-11-23)16-12-21-18-7-5-4-6-15(16)18/h4-8,12,21H,3,9-11H2,1-2H3
InChIKeyJMKDSAPAEKKYHQ-UHFFFAOYSA-N
MW351.48 g/mol
LogP4.42
Rot. Bonds3

About (4-ethyl-2-methyl-1,3-thiazol-5-yl)-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone

(4-ethyl-2-methyl-1,3-thiazol-5-yl)-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 71705869) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is (4-ethyl-2-methyl-1,3-thiazol-5-yl)-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethyl-2-methyl-1,3-thiazol-5-yl)-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
PubChem CID71705869
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC Name(4-ethyl-2-methyl-1,3-thiazol-5-yl)-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCCc1nc(C)sc1C(=O)N1CC=C(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C20H21N3OS/c1-3-17-19(25-13(2)22-17)20(24)23-10-8-14(9-11-23)16-12-21-18-7-5-4-6-15(16)18/h4-8,12,21H,3,9-11H2,1-2H3
InChIKeyJMKDSAPAEKKYHQ-UHFFFAOYSA-N
XLogP4.42
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2-methylphenyl)ethanone
CID 113086670
3-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
CID 71867021
(1-hydroxycyclopentyl)-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 110931231
(2,4-dichloro-5-fluorophenyl)-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 46699903
(2,5-dicyclopropyl-1H-pyrrol-3-yl)-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 166245925
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 167898000
[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(2-methylphenyl)methanone
CID 39545583
1-(4-bromophenyl)-4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butane-1,4-dione
CID 46699859
3-[1-(5-ethylthiophen-2-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
CID 113086693
1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(4-quinolin-2-ylpiperazin-1-yl)ethanone
CID 67323962
4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-[(4-methylsulfanylphenyl)methyl]-4-oxobutanamide
CID 20916520
2-(2,6-dimethyl-4-quinolin-2-ylpiperazin-1-yl)-1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 77263288

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-2-methyl-1,3-thiazol-5-yl)-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The IUPAC name of (4-ethyl-2-methyl-1,3-thiazol-5-yl)-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 71705869) is (4-ethyl-2-methyl-1,3-thiazol-5-yl)-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone.
What is the SMILES notation for (4-ethyl-2-methyl-1,3-thiazol-5-yl)-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The canonical SMILES for (4-ethyl-2-methyl-1,3-thiazol-5-yl)-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone is CCc1nc(C)sc1C(=O)N1CC=C(c2c[nH]c3ccccc23)CC1.
What is the InChIKey of (4-ethyl-2-methyl-1,3-thiazol-5-yl)-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The InChIKey is JMKDSAPAEKKYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS/c1-3-17-19(25-13(2)22-17)20(24)23-10-8-14(9-11-23)16-12-21-18-7-5-4-6-15(16)18/h4-8,12,21H,3,9-11H2,1-2H3.
What are the key properties of (4-ethyl-2-methyl-1,3-thiazol-5-yl)-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
(4-ethyl-2-methyl-1,3-thiazol-5-yl)-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 351.48 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-2-methyl-1,3-thiazol-5-yl)-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 71705869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).