5-(2-amino-1,3-thiazol-4-yl)-3,3,7-trimethyl-1H-indol-2-one

C14H15N3OS — CID 82104875

IUPAC5-(2-amino-1,3-thiazol-4-yl)-3,3,7-trimethyl-1H-indol-2-one
SMILESCc1cc(-c2csc(N)n2)cc2c1NC(=O)C2(C)C
InChIInChI=1S/C14H15N3OS/c1-7-4-8(10-6-19-13(15)16-10)5-9-11(7)17-12(18)14(9,2)3/h4-6H,1-3H3,(H2,15,16)(H,17,18)
InChIKeyMWJYOWNUARCCKY-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.93
Rot. Bonds1

About 5-(2-amino-1,3-thiazol-4-yl)-3,3,7-trimethyl-1H-indol-2-one

5-(2-amino-1,3-thiazol-4-yl)-3,3,7-trimethyl-1H-indol-2-one (PubChem CID 82104875) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 5-(2-amino-1,3-thiazol-4-yl)-3,3,7-trimethyl-1H-indol-2-one.

Molecular Properties

Compound Name5-(2-amino-1,3-thiazol-4-yl)-3,3,7-trimethyl-1H-indol-2-one
PubChem CID82104875
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name5-(2-amino-1,3-thiazol-4-yl)-3,3,7-trimethyl-1H-indol-2-one
SMILESCc1cc(-c2csc(N)n2)cc2c1NC(=O)C2(C)C
InChIInChI=1S/C14H15N3OS/c1-7-4-8(10-6-19-13(15)16-10)5-9-11(7)17-12(18)14(9,2)3/h4-6H,1-3H3,(H2,15,16)(H,17,18)
InChIKeyMWJYOWNUARCCKY-UHFFFAOYSA-N
XLogP2.93
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-amino-5-methyl-1,3-thiazol-4-yl)-3,3,7-trimethyl-1H-indol-2-one
CID 82104908
7-(2-amino-1,3-thiazol-4-yl)-5-ethyl-3,3-dimethyl-1H-indol-2-one
CID 82104896
4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrochloride
CID 2870539
4-(3,5-dichloro-4-methylphenyl)-1,3-thiazol-2-amine
CID 91362030
5-(2-amino-1,3-thiazol-4-yl)-3-(3,4-dimethylphenyl)-1H-pyridazin-6-one
CID 82445602
6-(2-amino-1,3-thiazol-4-yl)-8-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 82104985
4-[4-(4-bromoanilino)-3,5-dimethylphenyl]-1,3-thiazol-2-amine
CID 174737012
4-(2,6-dimethyl-4-phenylphenyl)-1,3-thiazol-2-amine
CID 161234714
7-(2-amino-1,3-thiazol-4-yl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 20983674
4-[3-(2-amino-1,3-thiazol-4-yl)phenyl]-2-methylbenzoic acid
CID 155410143
N-(2-methoxyethyl)-3,3,7-trimethyl-2-oxo-1H-indole-5-sulfonamide
CID 56731590
ethane;4-phenyl-1,3-thiazol-2-amine
CID 91233366

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-1,3-thiazol-4-yl)-3,3,7-trimethyl-1H-indol-2-one?
The IUPAC name of 5-(2-amino-1,3-thiazol-4-yl)-3,3,7-trimethyl-1H-indol-2-one (CID 82104875) is 5-(2-amino-1,3-thiazol-4-yl)-3,3,7-trimethyl-1H-indol-2-one.
What is the SMILES notation for 5-(2-amino-1,3-thiazol-4-yl)-3,3,7-trimethyl-1H-indol-2-one?
The canonical SMILES for 5-(2-amino-1,3-thiazol-4-yl)-3,3,7-trimethyl-1H-indol-2-one is Cc1cc(-c2csc(N)n2)cc2c1NC(=O)C2(C)C.
What is the InChIKey of 5-(2-amino-1,3-thiazol-4-yl)-3,3,7-trimethyl-1H-indol-2-one?
The InChIKey is MWJYOWNUARCCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-7-4-8(10-6-19-13(15)16-10)5-9-11(7)17-12(18)14(9,2)3/h4-6H,1-3H3,(H2,15,16)(H,17,18).
What are the key properties of 5-(2-amino-1,3-thiazol-4-yl)-3,3,7-trimethyl-1H-indol-2-one?
5-(2-amino-1,3-thiazol-4-yl)-3,3,7-trimethyl-1H-indol-2-one has a molecular weight of 273.36 g/mol, XLogP of 2.93, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-1,3-thiazol-4-yl)-3,3,7-trimethyl-1H-indol-2-one is sourced from PubChem (CID 82104875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).