indol-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone

C16H10N2OS2 — CID 71710888

IUPACindol-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
SMILESO=C(c1csc(-c2ccsc2)n1)n1ccc2ccccc21
InChIInChI=1S/C16H10N2OS2/c19-16(18-7-5-11-3-1-2-4-14(11)18)13-10-21-15(17-13)12-6-8-20-9-12/h1-10H
InChIKeyBJLRFJPLGKLBEM-UHFFFAOYSA-N
MW310.40 g/mol
LogP4.51
Rot. Bonds2

About indol-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone

indol-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone (PubChem CID 71710888) has the molecular formula C16H10N2OS2 and a molecular weight of 310.40 g/mol. Its IUPAC name is indol-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Nameindol-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
PubChem CID71710888
Molecular FormulaC16H10N2OS2
Molecular Weight310.40 g/mol
Exact Mass310.02
IUPAC Nameindol-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
SMILESO=C(c1csc(-c2ccsc2)n1)n1ccc2ccccc21
InChIInChI=1S/C16H10N2OS2/c19-16(18-7-5-11-3-1-2-4-14(11)18)13-10-21-15(17-13)12-6-8-20-9-12/h1-10H
InChIKeyBJLRFJPLGKLBEM-UHFFFAOYSA-N
XLogP4.51
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(pyridin-2-ylmethyl)-2-(2-thien-2-yl-1H-indol-1-yl)acetamide
CID 46275360
2-(1-benzothiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 25096000
Bacillamide C
CID 24178996
N-(2-indol-1-ylethyl)-2-thiophen-2-ylacetamide
CID 5095670
2-(3-{[(4-Fluorophenyl)methyl]sulfanyl}-1H-indol-1-YL)-1-(pyrrolidin-1-YL)ethan-1-one
CID 16019655
2-(3-{[(3-Methylphenyl)methyl]sulfanyl}-1H-indol-1-YL)-1-(pyrrolidin-1-YL)ethan-1-one
CID 16019679
N-(2-(dimethylamino)ethyl)-5-(1H-indol-1-yl)thiophene-2-carboxamide
CID 20940652
2-[2-(5-methylthiophen-2-yl)indol-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 137648253
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-indol-1-ylacetamide
CID 155810197
Bacillamide
CID 11077881
2-(1-acetylamino-ethyl)-thiazole-4-carboxylic acid [2-(1H-indol-3-yl)-ethyl]-amide
CID 44820441
2-(1-(4-(trifluoromethyl)benzyl)-1H-indol-5-yl)thiazole-4-carboxamide
CID 118414433

Frequently Asked Questions

What is the IUPAC name of indol-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone?
The IUPAC name of indol-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone (CID 71710888) is indol-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for indol-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for indol-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone is O=C(c1csc(-c2ccsc2)n1)n1ccc2ccccc21.
What is the InChIKey of indol-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone?
The InChIKey is BJLRFJPLGKLBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2OS2/c19-16(18-7-5-11-3-1-2-4-14(11)18)13-10-21-15(17-13)12-6-8-20-9-12/h1-10H.
What are the key properties of indol-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone?
indol-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone has a molecular weight of 310.40 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for indol-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 71710888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).