1-(1H-indol-3-yl)-2-[(4-methyl-1,3-thiazol-2-yl)amino]ethanone

C14H13N3OS — CID 912988

IUPAC1-(1H-indol-3-yl)-2-[(4-methyl-1,3-thiazol-2-yl)amino]ethanone
SMILESCc1csc(NCC(=O)c2c[nH]c3ccccc23)n1
InChIInChI=1S/C14H13N3OS/c1-9-8-19-14(17-9)16-7-13(18)11-6-15-12-5-3-2-4-10(11)12/h2-6,8,15H,7H2,1H3,(H,16,17)
InChIKeyJFQMWQMLHZRLIX-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.23
Rot. Bonds4

About 1-(1H-indol-3-yl)-2-[(4-methyl-1,3-thiazol-2-yl)amino]ethanone

1-(1H-indol-3-yl)-2-[(4-methyl-1,3-thiazol-2-yl)amino]ethanone (PubChem CID 912988) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-2-[(4-methyl-1,3-thiazol-2-yl)amino]ethanone.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-2-[(4-methyl-1,3-thiazol-2-yl)amino]ethanone
PubChem CID912988
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name1-(1H-indol-3-yl)-2-[(4-methyl-1,3-thiazol-2-yl)amino]ethanone
SMILESCc1csc(NCC(=O)c2c[nH]c3ccccc23)n1
InChIInChI=1S/C14H13N3OS/c1-9-8-19-14(17-9)16-7-13(18)11-6-15-12-5-3-2-4-10(11)12/h2-6,8,15H,7H2,1H3,(H,16,17)
InChIKeyJFQMWQMLHZRLIX-UHFFFAOYSA-N
XLogP3.23
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-2-[(4-methyl-1,3-thiazol-2-yl)amino]ethanone?
The IUPAC name of 1-(1H-indol-3-yl)-2-[(4-methyl-1,3-thiazol-2-yl)amino]ethanone (CID 912988) is 1-(1H-indol-3-yl)-2-[(4-methyl-1,3-thiazol-2-yl)amino]ethanone.
What is the SMILES notation for 1-(1H-indol-3-yl)-2-[(4-methyl-1,3-thiazol-2-yl)amino]ethanone?
The canonical SMILES for 1-(1H-indol-3-yl)-2-[(4-methyl-1,3-thiazol-2-yl)amino]ethanone is Cc1csc(NCC(=O)c2c[nH]c3ccccc23)n1.
What is the InChIKey of 1-(1H-indol-3-yl)-2-[(4-methyl-1,3-thiazol-2-yl)amino]ethanone?
The InChIKey is JFQMWQMLHZRLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-9-8-19-14(17-9)16-7-13(18)11-6-15-12-5-3-2-4-10(11)12/h2-6,8,15H,7H2,1H3,(H,16,17).
What are the key properties of 1-(1H-indol-3-yl)-2-[(4-methyl-1,3-thiazol-2-yl)amino]ethanone?
1-(1H-indol-3-yl)-2-[(4-methyl-1,3-thiazol-2-yl)amino]ethanone has a molecular weight of 271.35 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-2-[(4-methyl-1,3-thiazol-2-yl)amino]ethanone is sourced from PubChem (CID 912988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).