[4-[hydroxy-(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-(1H-indol-3-yl)methanone

C18H20N4O2S — CID 166765134

IUPAC[4-[hydroxy-(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-(1H-indol-3-yl)methanone
SMILESCN1CCN(C(O)c2csc(C(=O)c3c[nH]c4ccccc34)n2)CC1
InChIInChI=1S/C18H20N4O2S/c1-21-6-8-22(9-7-21)18(24)15-11-25-17(20-15)16(23)13-10-19-14-5-3-2-4-12(13)14/h2-5,10-11,18-19,24H,6-9H2,1H3
InChIKeyIRRPQODKZWKTMF-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.09
Rot. Bonds4

About [4-[hydroxy-(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-(1H-indol-3-yl)methanone

[4-[hydroxy-(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-(1H-indol-3-yl)methanone (PubChem CID 166765134) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is [4-[hydroxy-(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-(1H-indol-3-yl)methanone.

Molecular Properties

Compound Name[4-[hydroxy-(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-(1H-indol-3-yl)methanone
PubChem CID166765134
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name[4-[hydroxy-(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-(1H-indol-3-yl)methanone
SMILESCN1CCN(C(O)c2csc(C(=O)c3c[nH]c4ccccc34)n2)CC1
InChIInChI=1S/C18H20N4O2S/c1-21-6-8-22(9-7-21)18(24)15-11-25-17(20-15)16(23)13-10-19-14-5-3-2-4-12(13)14/h2-5,10-11,18-19,24H,6-9H2,1H3
InChIKeyIRRPQODKZWKTMF-UHFFFAOYSA-N
XLogP2.09
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [4-[hydroxy-(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-(1H-indol-3-yl)methanone with MolForge

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Related Compounds

1H-indol-3-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methanone;sulfur trioxide
CID 160595335
1H-indol-3-yl-(4-methyl-1,3-thiazol-2-yl)methanone
CID 146238804
1H-indol-3-yl(1,3-thiazol-2-yl)methanone
CID 69252541
4-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]piperidine-1-carboxylic acid
CID 166758790
[4-(1,1-dimethylpiperidin-1-ium-4-yl)-1,3-thiazol-2-yl]-(1H-indol-3-yl)methanone
CID 156515811
1H-indol-3-yl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanone
CID 148782007
2-hydroxy-1-(1H-indol-3-yl)-3-(4-methylphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one
CID 163432358
methyl 1-[2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxylate
CID 167179465
[3-[4-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]piperidin-1-yl]-3-oxopropyl]-trimethylazanium
CID 156515501
(2R,3R)-3-(4-chlorophenyl)-2-hydroxy-1-(1H-indol-3-yl)-3-(4-methylpiperazin-1-yl)propan-1-one
CID 51630361
(5-chloro-1H-indol-3-yl)-[4-[(1R)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone
CID 155231597
1-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazol-4-yl]ethanone
CID 156795885

Frequently Asked Questions

What is the IUPAC name of [4-[hydroxy-(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-(1H-indol-3-yl)methanone?
The IUPAC name of [4-[hydroxy-(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-(1H-indol-3-yl)methanone (CID 166765134) is [4-[hydroxy-(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-(1H-indol-3-yl)methanone.
What is the SMILES notation for [4-[hydroxy-(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-(1H-indol-3-yl)methanone?
The canonical SMILES for [4-[hydroxy-(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-(1H-indol-3-yl)methanone is CN1CCN(C(O)c2csc(C(=O)c3c[nH]c4ccccc34)n2)CC1.
What is the InChIKey of [4-[hydroxy-(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-(1H-indol-3-yl)methanone?
The InChIKey is IRRPQODKZWKTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-21-6-8-22(9-7-21)18(24)15-11-25-17(20-15)16(23)13-10-19-14-5-3-2-4-12(13)14/h2-5,10-11,18-19,24H,6-9H2,1H3.
What are the key properties of [4-[hydroxy-(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-(1H-indol-3-yl)methanone?
[4-[hydroxy-(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-(1H-indol-3-yl)methanone has a molecular weight of 356.45 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[hydroxy-(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-(1H-indol-3-yl)methanone is sourced from PubChem (CID 166765134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).