5,6-dihydro-4H-[1,3]thiazolo[5,4-d][1]benzazepine

C11H10N2S — CID 96619257

IUPAC5,6-dihydro-4H-[1,3]thiazolo[5,4-d][1]benzazepine
SMILESc1ccc2c(c1)NCCc1scnc1-2
InChIInChI=1S/C11H10N2S/c1-2-4-9-8(3-1)11-10(5-6-12-9)14-7-13-11/h1-4,7,12H,5-6H2
InChIKeyMZXOAULVGZXPGI-UHFFFAOYSA-N
MW202.28 g/mol
LogP2.78
Rot. Bonds

About 5,6-dihydro-4H-[1,3]thiazolo[5,4-d][1]benzazepine

5,6-dihydro-4H-[1,3]thiazolo[5,4-d][1]benzazepine (PubChem CID 96619257) has the molecular formula C11H10N2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 5,6-dihydro-4H-[1,3]thiazolo[5,4-d][1]benzazepine.

Molecular Properties

Compound Name5,6-dihydro-4H-[1,3]thiazolo[5,4-d][1]benzazepine
PubChem CID96619257
Molecular FormulaC11H10N2S
Molecular Weight202.28 g/mol
Exact Mass202.06
IUPAC Name5,6-dihydro-4H-[1,3]thiazolo[5,4-d][1]benzazepine
SMILESc1ccc2c(c1)NCCc1scnc1-2
InChIInChI=1S/C11H10N2S/c1-2-4-9-8(3-1)11-10(5-6-12-9)14-7-13-11/h1-4,7,12H,5-6H2
InChIKeyMZXOAULVGZXPGI-UHFFFAOYSA-N
XLogP2.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-4,5-dihydro-[1,3]thiazolo[5,4-c]quinoline
CID 96606057
13-thia-8,18-diaza-16-azoniatetracyclo[9.7.0.02,7.012,16]octadeca-1(11),2,4,6,12(16),17-hexaene chloride
CID 10039937
2,3-dihydro-1H-quinolin-4-one;ethane
CID 91530065
2-pyridin-2-yl-3,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepine
CID 22062972
(E)-N-methoxy-2,3-dihydro-1H-quinolin-4-imine
CID 136619754
N-ethyl-6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-2-amine
CID 141142355
N-propyl-6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-2-amine
CID 141142297
butane;4-methylidene-2,3-dihydro-1H-quinoline
CID 143333424
9-methyl-5,6-dihydro-4H-[1,3]thiazolo[4,5-d][1]benzazepine
CID 96610920
methyl 2-(4-oxo-6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-3-yl)acetate
CID 10356582
2-(6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-4-ylamino)acetic acid
CID 10378420
1,2,3,4,5,6-hexahydro-1-benzazonin-7-one
CID 121011436

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-4H-[1,3]thiazolo[5,4-d][1]benzazepine?
The IUPAC name of 5,6-dihydro-4H-[1,3]thiazolo[5,4-d][1]benzazepine (CID 96619257) is 5,6-dihydro-4H-[1,3]thiazolo[5,4-d][1]benzazepine.
What is the SMILES notation for 5,6-dihydro-4H-[1,3]thiazolo[5,4-d][1]benzazepine?
The canonical SMILES for 5,6-dihydro-4H-[1,3]thiazolo[5,4-d][1]benzazepine is c1ccc2c(c1)NCCc1scnc1-2.
What is the InChIKey of 5,6-dihydro-4H-[1,3]thiazolo[5,4-d][1]benzazepine?
The InChIKey is MZXOAULVGZXPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2S/c1-2-4-9-8(3-1)11-10(5-6-12-9)14-7-13-11/h1-4,7,12H,5-6H2.
What are the key properties of 5,6-dihydro-4H-[1,3]thiazolo[5,4-d][1]benzazepine?
5,6-dihydro-4H-[1,3]thiazolo[5,4-d][1]benzazepine has a molecular weight of 202.28 g/mol, XLogP of 2.78, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-4H-[1,3]thiazolo[5,4-d][1]benzazepine is sourced from PubChem (CID 96619257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).