2-(3a,7a-dihydro-1,3-benzothiazol-2-yl)-1,3-benzothiazole

C14H10N2S2 — CID 138599429

IUPAC2-(3a,7a-dihydro-1,3-benzothiazol-2-yl)-1,3-benzothiazole
SMILESC1=CC2N=C(c3nc4ccccc4s3)SC2C=C1
InChIInChI=1S/C14H10N2S2/c1-3-7-11-9(5-1)15-13(17-11)14-16-10-6-2-4-8-12(10)18-14/h1-9,11H
InChIKeyBSSWZLWXKJAHHQ-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.65
Rot. Bonds1

About 2-(3a,7a-dihydro-1,3-benzothiazol-2-yl)-1,3-benzothiazole

2-(3a,7a-dihydro-1,3-benzothiazol-2-yl)-1,3-benzothiazole (PubChem CID 138599429) has the molecular formula C14H10N2S2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-(3a,7a-dihydro-1,3-benzothiazol-2-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-(3a,7a-dihydro-1,3-benzothiazol-2-yl)-1,3-benzothiazole
PubChem CID138599429
Molecular FormulaC14H10N2S2
Molecular Weight270.38 g/mol
Exact Mass270.03
IUPAC Name2-(3a,7a-dihydro-1,3-benzothiazol-2-yl)-1,3-benzothiazole
SMILESC1=CC2N=C(c3nc4ccccc4s3)SC2C=C1
InChIInChI=1S/C14H10N2S2/c1-3-7-11-9(5-1)15-13(17-11)14-16-10-6-2-4-8-12(10)18-14/h1-9,11H
InChIKeyBSSWZLWXKJAHHQ-UHFFFAOYSA-N
XLogP3.65
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-[4-(3a,7a-dihydro-1,3-benzothiazol-2-yl)phenyl]-6-[4-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]phenyl]pyrimidin-4-yl]phenyl]-1,3-benzothiazole
CID 170047519
2-[4-[2-[4-(3a,7a-dihydro-1,3-benzothiazol-2-yl)phenyl]-6-[4-(1,8a-dihydronaphthalen-1-yl)phenyl]pyrimidin-4-yl]phenyl]-1,3-benzothiazole
CID 170047520
iridium;bis(2-phenyl-3a,7a-dihydro-1,3-benzothiazole)
CID 58725428
2-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-1,3-benzothiazole
CID 854969
N-[4-[7-[2-[4-(N-[4-[4-(N-[4-(3a,7a-dihydro-1,3-benzothiazol-2-yl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]-1,3-benzothiazol-4-yl]-3a,7a-dihydro-1,3-benzothiazol-2-yl]phenyl]-4-[4-[4-(N-[4-[4-[2-[4-(N-[4-[4-(N-[4-(1,3-benzothiazol-2-yl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]-3a,7a-dihydro-1,3-benzoxazol-4-yl]-1,3-benzothiazol-2-yl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 146650544
iridium;bis(2-phenyl-1,3-benzothiazole)
CID 87517023
(4S)-2-(1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 58797784
2-(1,3-benzothiazol-2-yl)-3,4,5,6-tetrafluorophenol
CID 136865282
2-[2-(1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]prop-2-enenitrile
CID 134439544
2-[4-[(E)-2-[4-(1,3-benzothiazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzothiazole
CID 58995434
1-[2-(1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]ethanone;ethane
CID 165012603
2-[2-(trifluoromethyl)phenyl]-1,3-benzothiazole
CID 1214783

Frequently Asked Questions

What is the IUPAC name of 2-(3a,7a-dihydro-1,3-benzothiazol-2-yl)-1,3-benzothiazole?
The IUPAC name of 2-(3a,7a-dihydro-1,3-benzothiazol-2-yl)-1,3-benzothiazole (CID 138599429) is 2-(3a,7a-dihydro-1,3-benzothiazol-2-yl)-1,3-benzothiazole.
What is the SMILES notation for 2-(3a,7a-dihydro-1,3-benzothiazol-2-yl)-1,3-benzothiazole?
The canonical SMILES for 2-(3a,7a-dihydro-1,3-benzothiazol-2-yl)-1,3-benzothiazole is C1=CC2N=C(c3nc4ccccc4s3)SC2C=C1.
What is the InChIKey of 2-(3a,7a-dihydro-1,3-benzothiazol-2-yl)-1,3-benzothiazole?
The InChIKey is BSSWZLWXKJAHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2S2/c1-3-7-11-9(5-1)15-13(17-11)14-16-10-6-2-4-8-12(10)18-14/h1-9,11H.
What are the key properties of 2-(3a,7a-dihydro-1,3-benzothiazol-2-yl)-1,3-benzothiazole?
2-(3a,7a-dihydro-1,3-benzothiazol-2-yl)-1,3-benzothiazole has a molecular weight of 270.38 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3a,7a-dihydro-1,3-benzothiazol-2-yl)-1,3-benzothiazole is sourced from PubChem (CID 138599429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).