(6-bromo-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone

C17H14BrN3OS — CID 10452837

IUPAC(6-bromo-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone
SMILESO=C(c1c[nH]c2cc(Br)ccc12)[C@@H]1CSC(c2cccnc2)N1
InChIInChI=1S/C17H14BrN3OS/c18-11-3-4-12-13(8-20-14(12)6-11)16(22)15-9-23-17(21-15)10-2-1-5-19-7-10/h1-8,15,17,20-21H,9H2/t15-,17?/m0/s1
InChIKeyKNWYCIOALCUCGR-MYJWUSKBSA-N
MW388.29 g/mol
LogP3.91
Rot. Bonds3

About (6-bromo-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone

(6-bromo-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone (PubChem CID 10452837) has the molecular formula C17H14BrN3OS and a molecular weight of 388.29 g/mol. Its IUPAC name is (6-bromo-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone.

Molecular Properties

Compound Name(6-bromo-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone
PubChem CID10452837
Molecular FormulaC17H14BrN3OS
Molecular Weight388.29 g/mol
Exact Mass387.00
IUPAC Name(6-bromo-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone
SMILESO=C(c1c[nH]c2cc(Br)ccc12)[C@@H]1CSC(c2cccnc2)N1
InChIInChI=1S/C17H14BrN3OS/c18-11-3-4-12-13(8-20-14(12)6-11)16(22)15-9-23-17(21-15)10-2-1-5-19-7-10/h1-8,15,17,20-21H,9H2/t15-,17?/m0/s1
InChIKeyKNWYCIOALCUCGR-MYJWUSKBSA-N
XLogP3.91
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.29
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (6-bromo-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone with MolForge

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Related Compounds

1-(2-methyl-1H-indol-3-yl)-2-(pyridin-2-ylsulfanyl)ethanone
CID 753522
6-Bromo-3-aza-13-azoniapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-20-one chloride
CID 10430210
N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide
CID 9999825
6-bromo-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide
CID 10344174
3-((R)-2-Pyridin-3-yl-thiazolidine-4-carbonyl)-indole-1-carboxylic acid tert-butyl ester
CID 10476623
(E)-1-(4-bromophenyl)-2-(4-bromophenyl)sulfanyl-3-(1H-indol-3-yl)prop-2-en-1-one
CID 24961108
(4-Bromophenyl)(9H-beta-carbolin-1-yl)methanone
CID 53322389
6-bromo-1H-indole-3-carboxamide
CID 57035201
(6-bromo-1H-indol-3-yl)-[(5S)-5-(6-bromo-1H-indol-3-yl)-4,5-dihydro-1H-imidazol-2-yl]methanone
CID 145959134
Spongotine A
CID 14168300
Spongotine C
CID 16104846
Spongotine B
CID 16104848

Frequently Asked Questions

What is the IUPAC name of (6-bromo-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone?
The IUPAC name of (6-bromo-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone (CID 10452837) is (6-bromo-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone.
What is the SMILES notation for (6-bromo-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone?
The canonical SMILES for (6-bromo-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone is O=C(c1c[nH]c2cc(Br)ccc12)[C@@H]1CSC(c2cccnc2)N1.
What is the InChIKey of (6-bromo-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone?
The InChIKey is KNWYCIOALCUCGR-MYJWUSKBSA-N. The full InChI is InChI=1S/C17H14BrN3OS/c18-11-3-4-12-13(8-20-14(12)6-11)16(22)15-9-23-17(21-15)10-2-1-5-19-7-10/h1-8,15,17,20-21H,9H2/t15-,17?/m0/s1.
What are the key properties of (6-bromo-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone?
(6-bromo-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone has a molecular weight of 388.29 g/mol, XLogP of 3.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone is sourced from PubChem (CID 10452837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).