2-(4-methoxyphenyl)-2,3-dihydro-1,3-benzothiazole

C14H13NOS — CID 3424364

IUPAC2-(4-methoxyphenyl)-2,3-dihydro-1,3-benzothiazole
SMILESCOc1ccc(C2Nc3ccccc3S2)cc1
InChIInChI=1S/C14H13NOS/c1-16-11-8-6-10(7-9-11)14-15-12-4-2-3-5-13(12)17-14/h2-9,14-15H,1H3
InChIKeyRTCQAPFXEKHDPX-UHFFFAOYSA-N
MW243.33 g/mol
LogP3.91
Rot. Bonds2

About 2-(4-methoxyphenyl)-2,3-dihydro-1,3-benzothiazole

2-(4-methoxyphenyl)-2,3-dihydro-1,3-benzothiazole (PubChem CID 3424364) has the molecular formula C14H13NOS and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-2,3-dihydro-1,3-benzothiazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-2,3-dihydro-1,3-benzothiazole
PubChem CID3424364
Molecular FormulaC14H13NOS
Molecular Weight243.33 g/mol
Exact Mass243.07
IUPAC Name2-(4-methoxyphenyl)-2,3-dihydro-1,3-benzothiazole
SMILESCOc1ccc(C2Nc3ccccc3S2)cc1
InChIInChI=1S/C14H13NOS/c1-16-11-8-6-10(7-9-11)14-15-12-4-2-3-5-13(12)17-14/h2-9,14-15H,1H3
InChIKeyRTCQAPFXEKHDPX-UHFFFAOYSA-N
XLogP3.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-2,3-dihydro-1,3-benzothiazole?
The IUPAC name of 2-(4-methoxyphenyl)-2,3-dihydro-1,3-benzothiazole (CID 3424364) is 2-(4-methoxyphenyl)-2,3-dihydro-1,3-benzothiazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-2,3-dihydro-1,3-benzothiazole?
The canonical SMILES for 2-(4-methoxyphenyl)-2,3-dihydro-1,3-benzothiazole is COc1ccc(C2Nc3ccccc3S2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-2,3-dihydro-1,3-benzothiazole?
The InChIKey is RTCQAPFXEKHDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NOS/c1-16-11-8-6-10(7-9-11)14-15-12-4-2-3-5-13(12)17-14/h2-9,14-15H,1H3.
What are the key properties of 2-(4-methoxyphenyl)-2,3-dihydro-1,3-benzothiazole?
2-(4-methoxyphenyl)-2,3-dihydro-1,3-benzothiazole has a molecular weight of 243.33 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-2,3-dihydro-1,3-benzothiazole is sourced from PubChem (CID 3424364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).