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

C16H11N3S — CID 711829

IUPAC4-(1H-indol-3-yl)-2-pyridin-4-yl-1,3-thiazole
SMILESc1ccc2c(-c3csc(-c4ccncc4)n3)c[nH]c2c1
InChIInChI=1S/C16H11N3S/c1-2-4-14-12(3-1)13(9-18-14)15-10-20-16(19-15)11-5-7-17-8-6-11/h1-10,18H
InChIKeyDQLDIESPWIFJFQ-UHFFFAOYSA-N
MW277.35 g/mol
LogP4.35
Rot. Bonds2

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

4-(1H-indol-3-yl)-2-pyridin-4-yl-1,3-thiazole (PubChem CID 711829) has the molecular formula C16H11N3S and a molecular weight of 277.35 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-2-pyridin-4-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-2-pyridin-4-yl-1,3-thiazole
PubChem CID711829
Molecular FormulaC16H11N3S
Molecular Weight277.35 g/mol
Exact Mass277.07
IUPAC Name4-(1H-indol-3-yl)-2-pyridin-4-yl-1,3-thiazole
SMILESc1ccc2c(-c3csc(-c4ccncc4)n3)c[nH]c2c1
InChIInChI=1S/C16H11N3S/c1-2-4-14-12(3-1)13(9-18-14)15-10-20-16(19-15)11-5-7-17-8-6-11/h1-10,18H
InChIKeyDQLDIESPWIFJFQ-UHFFFAOYSA-N
XLogP4.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-2-pyridin-4-yl-1,3-thiazole?
The IUPAC name of 4-(1H-indol-3-yl)-2-pyridin-4-yl-1,3-thiazole (CID 711829) is 4-(1H-indol-3-yl)-2-pyridin-4-yl-1,3-thiazole.
What is the SMILES notation for 4-(1H-indol-3-yl)-2-pyridin-4-yl-1,3-thiazole?
The canonical SMILES for 4-(1H-indol-3-yl)-2-pyridin-4-yl-1,3-thiazole is c1ccc2c(-c3csc(-c4ccncc4)n3)c[nH]c2c1.
What is the InChIKey of 4-(1H-indol-3-yl)-2-pyridin-4-yl-1,3-thiazole?
The InChIKey is DQLDIESPWIFJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3S/c1-2-4-14-12(3-1)13(9-18-14)15-10-20-16(19-15)11-5-7-17-8-6-11/h1-10,18H.
What are the key properties of 4-(1H-indol-3-yl)-2-pyridin-4-yl-1,3-thiazole?
4-(1H-indol-3-yl)-2-pyridin-4-yl-1,3-thiazole has a molecular weight of 277.35 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-2-pyridin-4-yl-1,3-thiazole is sourced from PubChem (CID 711829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).