4-[2-(2-chlorophenyl)-1H-indol-5-yl]-5-methyl-2-pyridin-4-yl-1,3-thiazole

C23H16ClN3S — CID 51038149

IUPAC4-[2-(2-chlorophenyl)-1H-indol-5-yl]-5-methyl-2-pyridin-4-yl-1,3-thiazole
SMILESCc1sc(-c2ccncc2)nc1-c1ccc2[nH]c(-c3ccccc3Cl)cc2c1
InChIInChI=1S/C23H16ClN3S/c1-14-22(27-23(28-14)15-8-10-25-11-9-15)16-6-7-20-17(12-16)13-21(26-20)18-4-2-3-5-19(18)24/h2-13,26H,1H3
InChIKeyVJYYBVVIGDQJDV-UHFFFAOYSA-N
MW401.92 g/mol
LogP6.98
Rot. Bonds3

About 4-[2-(2-chlorophenyl)-1H-indol-5-yl]-5-methyl-2-pyridin-4-yl-1,3-thiazole

4-[2-(2-chlorophenyl)-1H-indol-5-yl]-5-methyl-2-pyridin-4-yl-1,3-thiazole (PubChem CID 51038149) has the molecular formula C23H16ClN3S and a molecular weight of 401.92 g/mol. Its IUPAC name is 4-[2-(2-chlorophenyl)-1H-indol-5-yl]-5-methyl-2-pyridin-4-yl-1,3-thiazole.

Molecular Properties

Compound Name4-[2-(2-chlorophenyl)-1H-indol-5-yl]-5-methyl-2-pyridin-4-yl-1,3-thiazole
PubChem CID51038149
Molecular FormulaC23H16ClN3S
Molecular Weight401.92 g/mol
Exact Mass401.08
IUPAC Name4-[2-(2-chlorophenyl)-1H-indol-5-yl]-5-methyl-2-pyridin-4-yl-1,3-thiazole
SMILESCc1sc(-c2ccncc2)nc1-c1ccc2[nH]c(-c3ccccc3Cl)cc2c1
InChIInChI=1S/C23H16ClN3S/c1-14-22(27-23(28-14)15-8-10-25-11-9-15)16-6-7-20-17(12-16)13-21(26-20)18-4-2-3-5-19(18)24/h2-13,26H,1H3
InChIKeyVJYYBVVIGDQJDV-UHFFFAOYSA-N
XLogP6.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.92
LogP ≤ 56.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-chlorophenyl)-1H-indol-5-yl]-5-methyl-2-pyridin-4-yl-1,3-thiazole?
The IUPAC name of 4-[2-(2-chlorophenyl)-1H-indol-5-yl]-5-methyl-2-pyridin-4-yl-1,3-thiazole (CID 51038149) is 4-[2-(2-chlorophenyl)-1H-indol-5-yl]-5-methyl-2-pyridin-4-yl-1,3-thiazole.
What is the SMILES notation for 4-[2-(2-chlorophenyl)-1H-indol-5-yl]-5-methyl-2-pyridin-4-yl-1,3-thiazole?
The canonical SMILES for 4-[2-(2-chlorophenyl)-1H-indol-5-yl]-5-methyl-2-pyridin-4-yl-1,3-thiazole is Cc1sc(-c2ccncc2)nc1-c1ccc2[nH]c(-c3ccccc3Cl)cc2c1.
What is the InChIKey of 4-[2-(2-chlorophenyl)-1H-indol-5-yl]-5-methyl-2-pyridin-4-yl-1,3-thiazole?
The InChIKey is VJYYBVVIGDQJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClN3S/c1-14-22(27-23(28-14)15-8-10-25-11-9-15)16-6-7-20-17(12-16)13-21(26-20)18-4-2-3-5-19(18)24/h2-13,26H,1H3.
What are the key properties of 4-[2-(2-chlorophenyl)-1H-indol-5-yl]-5-methyl-2-pyridin-4-yl-1,3-thiazole?
4-[2-(2-chlorophenyl)-1H-indol-5-yl]-5-methyl-2-pyridin-4-yl-1,3-thiazole has a molecular weight of 401.92 g/mol, XLogP of 6.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-chlorophenyl)-1H-indol-5-yl]-5-methyl-2-pyridin-4-yl-1,3-thiazole is sourced from PubChem (CID 51038149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).