2-(5-methoxy-1-methylindol-3-yl)-4-naphthalen-2-yl-1,3-thiazole

C23H18N2OS — CID 155807224

IUPAC2-(5-methoxy-1-methylindol-3-yl)-4-naphthalen-2-yl-1,3-thiazole
SMILESCOc1ccc2c(c1)c(-c1nc(-c3ccc4ccccc4c3)cs1)cn2C
InChIInChI=1S/C23H18N2OS/c1-25-13-20(19-12-18(26-2)9-10-22(19)25)23-24-21(14-27-23)17-8-7-15-5-3-4-6-16(15)11-17/h3-14H,1-2H3
InChIKeyDNTFMVJJWPDKND-UHFFFAOYSA-N
MW370.48 g/mol
LogP6.13
Rot. Bonds3

About 2-(5-methoxy-1-methylindol-3-yl)-4-naphthalen-2-yl-1,3-thiazole

2-(5-methoxy-1-methylindol-3-yl)-4-naphthalen-2-yl-1,3-thiazole (PubChem CID 155807224) has the molecular formula C23H18N2OS and a molecular weight of 370.48 g/mol. Its IUPAC name is 2-(5-methoxy-1-methylindol-3-yl)-4-naphthalen-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(5-methoxy-1-methylindol-3-yl)-4-naphthalen-2-yl-1,3-thiazole
PubChem CID155807224
Molecular FormulaC23H18N2OS
Molecular Weight370.48 g/mol
Exact Mass370.11
IUPAC Name2-(5-methoxy-1-methylindol-3-yl)-4-naphthalen-2-yl-1,3-thiazole
SMILESCOc1ccc2c(c1)c(-c1nc(-c3ccc4ccccc4c3)cs1)cn2C
InChIInChI=1S/C23H18N2OS/c1-25-13-20(19-12-18(26-2)9-10-22(19)25)23-24-21(14-27-23)17-8-7-15-5-3-4-6-16(15)11-17/h3-14H,1-2H3
InChIKeyDNTFMVJJWPDKND-UHFFFAOYSA-N
XLogP6.13
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.48
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1-methylindol-3-yl)-4-naphthalen-2-yl-1,3-thiazole?
The IUPAC name of 2-(5-methoxy-1-methylindol-3-yl)-4-naphthalen-2-yl-1,3-thiazole (CID 155807224) is 2-(5-methoxy-1-methylindol-3-yl)-4-naphthalen-2-yl-1,3-thiazole.
What is the SMILES notation for 2-(5-methoxy-1-methylindol-3-yl)-4-naphthalen-2-yl-1,3-thiazole?
The canonical SMILES for 2-(5-methoxy-1-methylindol-3-yl)-4-naphthalen-2-yl-1,3-thiazole is COc1ccc2c(c1)c(-c1nc(-c3ccc4ccccc4c3)cs1)cn2C.
What is the InChIKey of 2-(5-methoxy-1-methylindol-3-yl)-4-naphthalen-2-yl-1,3-thiazole?
The InChIKey is DNTFMVJJWPDKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2OS/c1-25-13-20(19-12-18(26-2)9-10-22(19)25)23-24-21(14-27-23)17-8-7-15-5-3-4-6-16(15)11-17/h3-14H,1-2H3.
What are the key properties of 2-(5-methoxy-1-methylindol-3-yl)-4-naphthalen-2-yl-1,3-thiazole?
2-(5-methoxy-1-methylindol-3-yl)-4-naphthalen-2-yl-1,3-thiazole has a molecular weight of 370.48 g/mol, XLogP of 6.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1-methylindol-3-yl)-4-naphthalen-2-yl-1,3-thiazole is sourced from PubChem (CID 155807224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).