[6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2,3-dihydroindol-1-yl]-thiophen-2-ylmethanone

C17H14ClN3OS2 — CID 168583344

IUPAC[6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2,3-dihydroindol-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCc2ccc(NCc3cnc(Cl)s3)cc21
InChIInChI=1S/C17H14ClN3OS2/c18-17-20-10-13(24-17)9-19-12-4-3-11-5-6-21(14(11)8-12)16(22)15-2-1-7-23-15/h1-4,7-8,10,19H,5-6,9H2
InChIKeyYFZLBZOVZZIJAG-UHFFFAOYSA-N
MW375.91 g/mol
LogP4.67
Rot. Bonds4

About [6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2,3-dihydroindol-1-yl]-thiophen-2-ylmethanone

[6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2,3-dihydroindol-1-yl]-thiophen-2-ylmethanone (PubChem CID 168583344) has the molecular formula C17H14ClN3OS2 and a molecular weight of 375.91 g/mol. Its IUPAC name is [6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2,3-dihydroindol-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2,3-dihydroindol-1-yl]-thiophen-2-ylmethanone
PubChem CID168583344
Molecular FormulaC17H14ClN3OS2
Molecular Weight375.91 g/mol
Exact Mass375.03
IUPAC Name[6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2,3-dihydroindol-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCc2ccc(NCc3cnc(Cl)s3)cc21
InChIInChI=1S/C17H14ClN3OS2/c18-17-20-10-13(24-17)9-19-12-4-3-11-5-6-21(14(11)8-12)16(22)15-2-1-7-23-15/h1-4,7-8,10,19H,5-6,9H2
InChIKeyYFZLBZOVZZIJAG-UHFFFAOYSA-N
XLogP4.67
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.91
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2,3-dihydroindol-1-yl]-thiophen-2-ylmethanone with MolForge

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Related Compounds

1-[5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2,3-dihydroindol-1-yl]ethanone
CID 168580151
2-[[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]hydrazinylidene]propanedinitrile
CID 169339335
[6-(propan-2-ylsulfamoylamino)-2,3-dihydroindol-1-yl]-thiophen-2-ylmethanone
CID 110623599
1-(oxan-4-yl)-3-[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]urea
CID 110623601
(3S)-5-oxo-5-[[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]amino]-3-thiophen-2-ylpentanoic acid
CID 97354725
2,5-dichloro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 16835031
1-(2-hydroxyethyl)-3-[[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]amino]pyrrole-2,5-dione
CID 168559702
N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 7517408
5-bromo-2-chloro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 16835024
3-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzoic acid
CID 168580143
N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]cyclohexanecarboxamide
CID 7517417
(7-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone
CID 110359613

Frequently Asked Questions

What is the IUPAC name of [6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2,3-dihydroindol-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2,3-dihydroindol-1-yl]-thiophen-2-ylmethanone (CID 168583344) is [6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2,3-dihydroindol-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2,3-dihydroindol-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2,3-dihydroindol-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCc2ccc(NCc3cnc(Cl)s3)cc21.
What is the InChIKey of [6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2,3-dihydroindol-1-yl]-thiophen-2-ylmethanone?
The InChIKey is YFZLBZOVZZIJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3OS2/c18-17-20-10-13(24-17)9-19-12-4-3-11-5-6-21(14(11)8-12)16(22)15-2-1-7-23-15/h1-4,7-8,10,19H,5-6,9H2.
What are the key properties of [6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2,3-dihydroindol-1-yl]-thiophen-2-ylmethanone?
[6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2,3-dihydroindol-1-yl]-thiophen-2-ylmethanone has a molecular weight of 375.91 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2,3-dihydroindol-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 168583344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).