1-imino-2,3-dihydro-1,3-benzothiazole

C7H8N2S — CID 130727341

IUPAC1-imino-2,3-dihydro-1,3-benzothiazole
SMILES[H]/N=S1\CNc2ccccc21
InChIInChI=1S/C7H8N2S/c8-10-5-9-6-3-1-2-4-7(6)10/h1-4,8-9H,5H2
InChIKeyLQERUHGIVUXADN-UHFFFAOYSA-N
MW152.22 g/mol
LogP1.81
Rot. Bonds

About 1-imino-2,3-dihydro-1,3-benzothiazole

1-imino-2,3-dihydro-1,3-benzothiazole (PubChem CID 130727341) has the molecular formula C7H8N2S and a molecular weight of 152.22 g/mol. Its IUPAC name is 1-imino-2,3-dihydro-1,3-benzothiazole.

Molecular Properties

Compound Name1-imino-2,3-dihydro-1,3-benzothiazole
PubChem CID130727341
Molecular FormulaC7H8N2S
Molecular Weight152.22 g/mol
Exact Mass152.04
IUPAC Name1-imino-2,3-dihydro-1,3-benzothiazole
SMILES[H]/N=S1\CNc2ccccc21
InChIInChI=1S/C7H8N2S/c8-10-5-9-6-3-1-2-4-7(6)10/h1-4,8-9H,5H2
InChIKeyLQERUHGIVUXADN-UHFFFAOYSA-N
XLogP1.81
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

CID 172778085
CID 172778085
CID 69117879
CID 69117879
(2E)-2-(2,3-dihydro-1,3-benzothiazol-1-ylidene)acetaldehyde
CID 45077758
2-(2,3-dihydro-1,3-benzothiazol-1-ylidene)propanedinitrile
CID 45077756
1-imino-3-methyl-2H-1,3-benzothiazole
CID 174467519
2-methyl-3,4-dihydro-2H-1λ4,4-benzothiazine 1-oxide
CID 75525900
1-imino-2H-1λ4,2-benzothiazine
CID 140936957
molecular hydrogen;1,2,3,4-tetrahydroquinoxaline
CID 143824741
1,2,3,4,5,6-hexahydro-1,6-benzodiazocine
CID 2771763
3-hydroxy-1,2-dihydroquinazolin-4-imine
CID 137303752
4-(2,2-difluoroethyl)-2,3-dihydro-1H-quinoxaline
CID 60922941
(4-imino-1,2-dihydroquinolin-3-ylidene)methanone
CID 176523016

Frequently Asked Questions

What is the IUPAC name of 1-imino-2,3-dihydro-1,3-benzothiazole?
The IUPAC name of 1-imino-2,3-dihydro-1,3-benzothiazole (CID 130727341) is 1-imino-2,3-dihydro-1,3-benzothiazole.
What is the SMILES notation for 1-imino-2,3-dihydro-1,3-benzothiazole?
The canonical SMILES for 1-imino-2,3-dihydro-1,3-benzothiazole is [H]/N=S1\CNc2ccccc21.
What is the InChIKey of 1-imino-2,3-dihydro-1,3-benzothiazole?
The InChIKey is LQERUHGIVUXADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2S/c8-10-5-9-6-3-1-2-4-7(6)10/h1-4,8-9H,5H2.
What are the key properties of 1-imino-2,3-dihydro-1,3-benzothiazole?
1-imino-2,3-dihydro-1,3-benzothiazole has a molecular weight of 152.22 g/mol, XLogP of 1.81, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imino-2,3-dihydro-1,3-benzothiazole is sourced from PubChem (CID 130727341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).