4-(2,5-dihydropyridin-3-yl)-2-(1H-indol-3-yl)-1,3-thiazole

C16H13N3S — CID 137133533

IUPAC4-(2,5-dihydropyridin-3-yl)-2-(1H-indol-3-yl)-1,3-thiazole
SMILESC1=NCC(c2csc(-c3c[nH]c4ccccc34)n2)=CC1
InChIInChI=1S/C16H13N3S/c1-2-6-14-12(5-1)13(9-18-14)16-19-15(10-20-16)11-4-3-7-17-8-11/h1-2,4-7,9-10,18H,3,8H2
InChIKeyFQPIQOSBJDOFQY-UHFFFAOYSA-N
MW279.37 g/mol
LogP4.15
Rot. Bonds2

About 4-(2,5-dihydropyridin-3-yl)-2-(1H-indol-3-yl)-1,3-thiazole

4-(2,5-dihydropyridin-3-yl)-2-(1H-indol-3-yl)-1,3-thiazole (PubChem CID 137133533) has the molecular formula C16H13N3S and a molecular weight of 279.37 g/mol. Its IUPAC name is 4-(2,5-dihydropyridin-3-yl)-2-(1H-indol-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(2,5-dihydropyridin-3-yl)-2-(1H-indol-3-yl)-1,3-thiazole
PubChem CID137133533
Molecular FormulaC16H13N3S
Molecular Weight279.37 g/mol
Exact Mass279.08
IUPAC Name4-(2,5-dihydropyridin-3-yl)-2-(1H-indol-3-yl)-1,3-thiazole
SMILESC1=NCC(c2csc(-c3c[nH]c4ccccc34)n2)=CC1
InChIInChI=1S/C16H13N3S/c1-2-6-14-12(5-1)13(9-18-14)16-19-15(10-20-16)11-4-3-7-17-8-11/h1-2,4-7,9-10,18H,3,8H2
InChIKeyFQPIQOSBJDOFQY-UHFFFAOYSA-N
XLogP4.15
TPSA41.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2,5-dihydropyridin-3-yl)-2-(1H-indol-3-yl)-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1H-indol-3-yl)-1,3-thiazole-4-thiol
CID 116889652
2-benzyl-4-(1H-indol-3-yl)-1,3-thiazole
CID 963414
2-(1H-indol-3-yl)aniline
CID 25210227
4-[2-chloro-4-(trifluoromethylsulfonylmethyl)phenyl]-2-(1H-indol-3-yl)-1,3-thiazole
CID 149367317
2-(1H-indol-3-yl)-4-methyl-1,3-thiazole-5-thiol
CID 136988627
methane;3-phenyl-1H-indole
CID 167711687
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 8839544
3-pyridin-4-yl-1H-indole
CID 159430533
3-[4-(1H-indol-3-yl)phenyl]-1H-indole
CID 175007681
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 2566619
[6-(1H-indol-3-yl)-2-methylpyrimidin-4-yl]methanamine
CID 116857643
N-hexyl-4-(1H-indol-3-yl)-1,3-thiazol-2-amine
CID 45034189

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dihydropyridin-3-yl)-2-(1H-indol-3-yl)-1,3-thiazole?
The IUPAC name of 4-(2,5-dihydropyridin-3-yl)-2-(1H-indol-3-yl)-1,3-thiazole (CID 137133533) is 4-(2,5-dihydropyridin-3-yl)-2-(1H-indol-3-yl)-1,3-thiazole.
What is the SMILES notation for 4-(2,5-dihydropyridin-3-yl)-2-(1H-indol-3-yl)-1,3-thiazole?
The canonical SMILES for 4-(2,5-dihydropyridin-3-yl)-2-(1H-indol-3-yl)-1,3-thiazole is C1=NCC(c2csc(-c3c[nH]c4ccccc34)n2)=CC1.
What is the InChIKey of 4-(2,5-dihydropyridin-3-yl)-2-(1H-indol-3-yl)-1,3-thiazole?
The InChIKey is FQPIQOSBJDOFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3S/c1-2-6-14-12(5-1)13(9-18-14)16-19-15(10-20-16)11-4-3-7-17-8-11/h1-2,4-7,9-10,18H,3,8H2.
What are the key properties of 4-(2,5-dihydropyridin-3-yl)-2-(1H-indol-3-yl)-1,3-thiazole?
4-(2,5-dihydropyridin-3-yl)-2-(1H-indol-3-yl)-1,3-thiazole has a molecular weight of 279.37 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dihydropyridin-3-yl)-2-(1H-indol-3-yl)-1,3-thiazole is sourced from PubChem (CID 137133533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).