(2R)-2-naphthalen-1-yl-2,3-dihydro-1,3-benzothiazole

C17H13NS — CID 102081822

IUPAC(2R)-2-naphthalen-1-yl-2,3-dihydro-1,3-benzothiazole
SMILESc1ccc2c(c1)N[C@@H](c1cccc3ccccc13)S2
InChIInChI=1S/C17H13NS/c1-2-8-13-12(6-1)7-5-9-14(13)17-18-15-10-3-4-11-16(15)19-17/h1-11,17-18H/t17-/m1/s1
InChIKeyZXRCEWIJIAARES-QGZVFWFLSA-N
MW263.37 g/mol
LogP5.06
Rot. Bonds1

About (2R)-2-naphthalen-1-yl-2,3-dihydro-1,3-benzothiazole

(2R)-2-naphthalen-1-yl-2,3-dihydro-1,3-benzothiazole (PubChem CID 102081822) has the molecular formula C17H13NS and a molecular weight of 263.37 g/mol. Its IUPAC name is (2R)-2-naphthalen-1-yl-2,3-dihydro-1,3-benzothiazole.

Molecular Properties

Compound Name(2R)-2-naphthalen-1-yl-2,3-dihydro-1,3-benzothiazole
PubChem CID102081822
Molecular FormulaC17H13NS
Molecular Weight263.37 g/mol
Exact Mass263.08
IUPAC Name(2R)-2-naphthalen-1-yl-2,3-dihydro-1,3-benzothiazole
SMILESc1ccc2c(c1)N[C@@H](c1cccc3ccccc13)S2
InChIInChI=1S/C17H13NS/c1-2-8-13-12(6-1)7-5-9-14(13)17-18-15-10-3-4-11-16(15)19-17/h1-11,17-18H/t17-/m1/s1
InChIKeyZXRCEWIJIAARES-QGZVFWFLSA-N
XLogP5.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.37
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2-chlorophenyl)-2,3-dihydro-1,3-benzothiazole
CID 6928885
(2R)-2-phenyl-2,3-dihydro-1,3-benzothiazole
CID 92935373
(2S)-2-[(2R)-2,3-dihydro-1,3-benzothiazol-2-yl]-2,3-dihydro-1,3-benzothiazole
CID 92543565
2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,3-dihydro-1,3-benzothiazole
CID 145202412
2-[(2S)-2,3-dihydro-1,3-benzothiazol-2-yl]-1,3-benzothiazole
CID 129361833
2-[3-[4-(4-phenylbenzo[k]phenanthridin-6-yl)phenyl]phenyl]-2,3-dihydro-1,3-benzothiazole
CID 163470556
4-(2,3-dihydro-1,3-benzothiazol-2-yl)-N,N-diethylaniline
CID 4168985
2-(5-fluoro-2-nitrophenyl)-2,3-dihydro-1,3-benzothiazole
CID 70375535
(1R,2S,3S)-1-[(2S)-2,3-dihydro-1,3-benzothiazol-2-yl]butane-1,2,3,4-tetrol
CID 6932553
2-naphthalen-1-yl-3-sulfanyl-2H-1,3-benzothiazole
CID 139620869
2-(6-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridin-5-yl)-2,3-dihydro-1,3-benzothiazole
CID 12786995
2-(2,3-dihydro-1,3-benzothiazol-2-yl)acetic acid
CID 154116351

Frequently Asked Questions

What is the IUPAC name of (2R)-2-naphthalen-1-yl-2,3-dihydro-1,3-benzothiazole?
The IUPAC name of (2R)-2-naphthalen-1-yl-2,3-dihydro-1,3-benzothiazole (CID 102081822) is (2R)-2-naphthalen-1-yl-2,3-dihydro-1,3-benzothiazole.
What is the SMILES notation for (2R)-2-naphthalen-1-yl-2,3-dihydro-1,3-benzothiazole?
The canonical SMILES for (2R)-2-naphthalen-1-yl-2,3-dihydro-1,3-benzothiazole is c1ccc2c(c1)N[C@@H](c1cccc3ccccc13)S2.
What is the InChIKey of (2R)-2-naphthalen-1-yl-2,3-dihydro-1,3-benzothiazole?
The InChIKey is ZXRCEWIJIAARES-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H13NS/c1-2-8-13-12(6-1)7-5-9-14(13)17-18-15-10-3-4-11-16(15)19-17/h1-11,17-18H/t17-/m1/s1.
What are the key properties of (2R)-2-naphthalen-1-yl-2,3-dihydro-1,3-benzothiazole?
(2R)-2-naphthalen-1-yl-2,3-dihydro-1,3-benzothiazole has a molecular weight of 263.37 g/mol, XLogP of 5.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-naphthalen-1-yl-2,3-dihydro-1,3-benzothiazole is sourced from PubChem (CID 102081822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).