1-(2,6-dimethyl-1H-indol-3-yl)-2-(1,3-thiazol-2-ylamino)ethanone

C15H15N3OS — CID 718258

IUPAC1-(2,6-dimethyl-1H-indol-3-yl)-2-(1,3-thiazol-2-ylamino)ethanone
SMILESCc1ccc2c(C(=O)CNc3nccs3)c(C)[nH]c2c1
InChIInChI=1S/C15H15N3OS/c1-9-3-4-11-12(7-9)18-10(2)14(11)13(19)8-17-15-16-5-6-20-15/h3-7,18H,8H2,1-2H3,(H,16,17)
InChIKeyFVCNCKASPXIQQS-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.54
Rot. Bonds4

About 1-(2,6-dimethyl-1H-indol-3-yl)-2-(1,3-thiazol-2-ylamino)ethanone

1-(2,6-dimethyl-1H-indol-3-yl)-2-(1,3-thiazol-2-ylamino)ethanone (PubChem CID 718258) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 1-(2,6-dimethyl-1H-indol-3-yl)-2-(1,3-thiazol-2-ylamino)ethanone.

Molecular Properties

Compound Name1-(2,6-dimethyl-1H-indol-3-yl)-2-(1,3-thiazol-2-ylamino)ethanone
PubChem CID718258
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name1-(2,6-dimethyl-1H-indol-3-yl)-2-(1,3-thiazol-2-ylamino)ethanone
SMILESCc1ccc2c(C(=O)CNc3nccs3)c(C)[nH]c2c1
InChIInChI=1S/C15H15N3OS/c1-9-3-4-11-12(7-9)18-10(2)14(11)13(19)8-17-15-16-5-6-20-15/h3-7,18H,8H2,1-2H3,(H,16,17)
InChIKeyFVCNCKASPXIQQS-UHFFFAOYSA-N
XLogP3.54
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

indole-based 6-membered lactam, (R)-4b
CID 15604766
4-methyl-1-oxo-N-(1,3-thiazol-2-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
CID 15951676
2-[(4-Methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]-1,3-thiazole-5-carboxamide
CID 44143528
3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-N-thiazol-2-yl-1H-indole-7-carboxamide
CID 507919
2-(1H-indol-3-yl)-2-oxo-N-(2-thiazolyl)acetamide
CID 2174681
Dendrodoine
CID 126514
Indothiazinone
CID 69252541
Indole-based 6-membered lactam, 3e
CID 44143547
Indole-based 6-membered lactam, 4f
CID 44143552
Indole-based 7-membered lactam, 23b
CID 44143559
Indole-based 6-membered lactam, 22
CID 15604761
indole-based 6-membered lactam, (S)-4b
CID 15604765

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyl-1H-indol-3-yl)-2-(1,3-thiazol-2-ylamino)ethanone?
The IUPAC name of 1-(2,6-dimethyl-1H-indol-3-yl)-2-(1,3-thiazol-2-ylamino)ethanone (CID 718258) is 1-(2,6-dimethyl-1H-indol-3-yl)-2-(1,3-thiazol-2-ylamino)ethanone.
What is the SMILES notation for 1-(2,6-dimethyl-1H-indol-3-yl)-2-(1,3-thiazol-2-ylamino)ethanone?
The canonical SMILES for 1-(2,6-dimethyl-1H-indol-3-yl)-2-(1,3-thiazol-2-ylamino)ethanone is Cc1ccc2c(C(=O)CNc3nccs3)c(C)[nH]c2c1.
What is the InChIKey of 1-(2,6-dimethyl-1H-indol-3-yl)-2-(1,3-thiazol-2-ylamino)ethanone?
The InChIKey is FVCNCKASPXIQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-9-3-4-11-12(7-9)18-10(2)14(11)13(19)8-17-15-16-5-6-20-15/h3-7,18H,8H2,1-2H3,(H,16,17).
What are the key properties of 1-(2,6-dimethyl-1H-indol-3-yl)-2-(1,3-thiazol-2-ylamino)ethanone?
1-(2,6-dimethyl-1H-indol-3-yl)-2-(1,3-thiazol-2-ylamino)ethanone has a molecular weight of 285.37 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethyl-1H-indol-3-yl)-2-(1,3-thiazol-2-ylamino)ethanone is sourced from PubChem (CID 718258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).