4-(1H-indol-3-yl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole

C19H14N4S — CID 155806654

IUPAC4-(1H-indol-3-yl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole
SMILESCn1cc(-c2nc(-c3c[nH]c4ccccc34)cs2)c2cccnc21
InChIInChI=1S/C19H14N4S/c1-23-10-15(13-6-4-8-20-18(13)23)19-22-17(11-24-19)14-9-21-16-7-3-2-5-12(14)16/h2-11,21H,1H3
InChIKeySXTFGCNSCYKICW-UHFFFAOYSA-N
MW330.42 g/mol
LogP4.85
Rot. Bonds2

About 4-(1H-indol-3-yl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole

4-(1H-indol-3-yl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole (PubChem CID 155806654) has the molecular formula C19H14N4S and a molecular weight of 330.42 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole
PubChem CID155806654
Molecular FormulaC19H14N4S
Molecular Weight330.42 g/mol
Exact Mass330.09
IUPAC Name4-(1H-indol-3-yl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole
SMILESCn1cc(-c2nc(-c3c[nH]c4ccccc34)cs2)c2cccnc21
InChIInChI=1S/C19H14N4S/c1-23-10-15(13-6-4-8-20-18(13)23)19-22-17(11-24-19)14-9-21-16-7-3-2-5-12(14)16/h2-11,21H,1H3
InChIKeySXTFGCNSCYKICW-UHFFFAOYSA-N
XLogP4.85
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole?
The IUPAC name of 4-(1H-indol-3-yl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole (CID 155806654) is 4-(1H-indol-3-yl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole.
What is the SMILES notation for 4-(1H-indol-3-yl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole?
The canonical SMILES for 4-(1H-indol-3-yl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole is Cn1cc(-c2nc(-c3c[nH]c4ccccc34)cs2)c2cccnc21.
What is the InChIKey of 4-(1H-indol-3-yl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole?
The InChIKey is SXTFGCNSCYKICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4S/c1-23-10-15(13-6-4-8-20-18(13)23)19-22-17(11-24-19)14-9-21-16-7-3-2-5-12(14)16/h2-11,21H,1H3.
What are the key properties of 4-(1H-indol-3-yl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole?
4-(1H-indol-3-yl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole has a molecular weight of 330.42 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole is sourced from PubChem (CID 155806654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).