N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1,3-thiazol-2-amine

C11H10N2O2S2 — CID 43522817

IUPACN-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1,3-thiazol-2-amine
SMILESO=S1(=O)CC(Nc2nccs2)c2ccccc21
InChIInChI=1S/C11H10N2O2S2/c14-17(15)7-9(13-11-12-5-6-16-11)8-3-1-2-4-10(8)17/h1-6,9H,7H2,(H,12,13)
InChIKeyIGSQMVZOHDTAHC-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.08
Rot. Bonds2

About N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1,3-thiazol-2-amine

N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1,3-thiazol-2-amine (PubChem CID 43522817) has the molecular formula C11H10N2O2S2 and a molecular weight of 266.35 g/mol. Its IUPAC name is N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1,3-thiazol-2-amine
PubChem CID43522817
Molecular FormulaC11H10N2O2S2
Molecular Weight266.35 g/mol
Exact Mass266.02
IUPAC NameN-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1,3-thiazol-2-amine
SMILESO=S1(=O)CC(Nc2nccs2)c2ccccc21
InChIInChI=1S/C11H10N2O2S2/c14-17(15)7-9(13-11-12-5-6-16-11)8-3-1-2-4-10(8)17/h1-6,9H,7H2,(H,12,13)
InChIKeyIGSQMVZOHDTAHC-UHFFFAOYSA-N
XLogP2.08
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,1-dioxo-N-[2-(1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 63242476
(4R)-1,1-dioxo-N-[2-(1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 129369105
N-cycloheptyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 43522978
N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-6-methoxypyridin-3-amine
CID 43522838
N-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-1,3,4-thiadiazol-2-amine
CID 107648920
N-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)-1,3-thiazol-2-amine
CID 103982417
N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-1,3-thiazol-2-amine
CID 78982946
4-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]benzamide
CID 43522924
N-(cyclopentylmethyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 43522988
N-(cyclohexylmethyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 43522989
N-(3-methoxyphenyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 43522877
N-(3-ethynylphenyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 43522940

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1,3-thiazol-2-amine (CID 43522817) is N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1,3-thiazol-2-amine is O=S1(=O)CC(Nc2nccs2)c2ccccc21.
What is the InChIKey of N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1,3-thiazol-2-amine?
The InChIKey is IGSQMVZOHDTAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S2/c14-17(15)7-9(13-11-12-5-6-16-11)8-3-1-2-4-10(8)17/h1-6,9H,7H2,(H,12,13).
What are the key properties of N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1,3-thiazol-2-amine?
N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1,3-thiazol-2-amine has a molecular weight of 266.35 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 43522817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).