1-[2-(methylamino)-1,3-thiazol-4-yl]-3H-indol-2-one

C12H11N3OS — CID 54552302

IUPAC1-[2-(methylamino)-1,3-thiazol-4-yl]-3H-indol-2-one
SMILESCNc1nc(N2C(=O)Cc3ccccc32)cs1
InChIInChI=1S/C12H11N3OS/c1-13-12-14-10(7-17-12)15-9-5-3-2-4-8(9)6-11(15)16/h2-5,7H,6H2,1H3,(H,13,14)
InChIKeyZKTBWSSPFMPRGQ-UHFFFAOYSA-N
MW245.31 g/mol
LogP2.41
Rot. Bonds2

About 1-[2-(methylamino)-1,3-thiazol-4-yl]-3H-indol-2-one

1-[2-(methylamino)-1,3-thiazol-4-yl]-3H-indol-2-one (PubChem CID 54552302) has the molecular formula C12H11N3OS and a molecular weight of 245.31 g/mol. Its IUPAC name is 1-[2-(methylamino)-1,3-thiazol-4-yl]-3H-indol-2-one.

Molecular Properties

Compound Name1-[2-(methylamino)-1,3-thiazol-4-yl]-3H-indol-2-one
PubChem CID54552302
Molecular FormulaC12H11N3OS
Molecular Weight245.31 g/mol
Exact Mass245.06
IUPAC Name1-[2-(methylamino)-1,3-thiazol-4-yl]-3H-indol-2-one
SMILESCNc1nc(N2C(=O)Cc3ccccc32)cs1
InChIInChI=1S/C12H11N3OS/c1-13-12-14-10(7-17-12)15-9-5-3-2-4-8(9)6-11(15)16/h2-5,7H,6H2,1H3,(H,13,14)
InChIKeyZKTBWSSPFMPRGQ-UHFFFAOYSA-N
XLogP2.41
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylamino)-1,3-thiazol-4-yl]-3H-indol-2-one?
The IUPAC name of 1-[2-(methylamino)-1,3-thiazol-4-yl]-3H-indol-2-one (CID 54552302) is 1-[2-(methylamino)-1,3-thiazol-4-yl]-3H-indol-2-one.
What is the SMILES notation for 1-[2-(methylamino)-1,3-thiazol-4-yl]-3H-indol-2-one?
The canonical SMILES for 1-[2-(methylamino)-1,3-thiazol-4-yl]-3H-indol-2-one is CNc1nc(N2C(=O)Cc3ccccc32)cs1.
What is the InChIKey of 1-[2-(methylamino)-1,3-thiazol-4-yl]-3H-indol-2-one?
The InChIKey is ZKTBWSSPFMPRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS/c1-13-12-14-10(7-17-12)15-9-5-3-2-4-8(9)6-11(15)16/h2-5,7H,6H2,1H3,(H,13,14).
What are the key properties of 1-[2-(methylamino)-1,3-thiazol-4-yl]-3H-indol-2-one?
1-[2-(methylamino)-1,3-thiazol-4-yl]-3H-indol-2-one has a molecular weight of 245.31 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylamino)-1,3-thiazol-4-yl]-3H-indol-2-one is sourced from PubChem (CID 54552302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).