2-pyridin-4-yl-2,3-dihydro-1,3-benzothiazole

C12H10N2S — CID 3006719

IUPAC2-pyridin-4-yl-2,3-dihydro-1,3-benzothiazole
SMILESc1ccc2c(c1)NC(c1ccncc1)S2
InChIInChI=1S/C12H10N2S/c1-2-4-11-10(3-1)14-12(15-11)9-5-7-13-8-6-9/h1-8,12,14H
InChIKeyHOJCSMGFSWKLAV-UHFFFAOYSA-N
MW214.29 g/mol
LogP3.30
Rot. Bonds1

About 2-pyridin-4-yl-2,3-dihydro-1,3-benzothiazole

2-pyridin-4-yl-2,3-dihydro-1,3-benzothiazole (PubChem CID 3006719) has the molecular formula C12H10N2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-pyridin-4-yl-2,3-dihydro-1,3-benzothiazole.

Molecular Properties

Compound Name2-pyridin-4-yl-2,3-dihydro-1,3-benzothiazole
PubChem CID3006719
Molecular FormulaC12H10N2S
Molecular Weight214.29 g/mol
Exact Mass214.06
IUPAC Name2-pyridin-4-yl-2,3-dihydro-1,3-benzothiazole
SMILESc1ccc2c(c1)NC(c1ccncc1)S2
InChIInChI=1S/C12H10N2S/c1-2-4-11-10(3-1)14-12(15-11)9-5-7-13-8-6-9/h1-8,12,14H
InChIKeyHOJCSMGFSWKLAV-UHFFFAOYSA-N
XLogP3.30
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-2,3-dihydro-1,3-benzothiazole?
The IUPAC name of 2-pyridin-4-yl-2,3-dihydro-1,3-benzothiazole (CID 3006719) is 2-pyridin-4-yl-2,3-dihydro-1,3-benzothiazole.
What is the SMILES notation for 2-pyridin-4-yl-2,3-dihydro-1,3-benzothiazole?
The canonical SMILES for 2-pyridin-4-yl-2,3-dihydro-1,3-benzothiazole is c1ccc2c(c1)NC(c1ccncc1)S2.
What is the InChIKey of 2-pyridin-4-yl-2,3-dihydro-1,3-benzothiazole?
The InChIKey is HOJCSMGFSWKLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2S/c1-2-4-11-10(3-1)14-12(15-11)9-5-7-13-8-6-9/h1-8,12,14H.
What are the key properties of 2-pyridin-4-yl-2,3-dihydro-1,3-benzothiazole?
2-pyridin-4-yl-2,3-dihydro-1,3-benzothiazole has a molecular weight of 214.29 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-2,3-dihydro-1,3-benzothiazole is sourced from PubChem (CID 3006719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).