[2-(1H-indol-3-ylmethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol

C15H14N4OS — CID 82219731

IUPAC[2-(1H-indol-3-ylmethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
SMILESCc1nc2sc(Cc3c[nH]c4ccccc34)nn2c1CO
InChIInChI=1S/C15H14N4OS/c1-9-13(8-20)19-15(17-9)21-14(18-19)6-10-7-16-12-5-3-2-4-11(10)12/h2-5,7,16,20H,6,8H2,1H3
InChIKeyDYAWKIUQFDZIGE-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.66
Rot. Bonds3

About [2-(1H-indol-3-ylmethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol

[2-(1H-indol-3-ylmethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol (PubChem CID 82219731) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is [2-(1H-indol-3-ylmethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(1H-indol-3-ylmethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
PubChem CID82219731
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC Name[2-(1H-indol-3-ylmethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
SMILESCc1nc2sc(Cc3c[nH]c4ccccc34)nn2c1CO
InChIInChI=1S/C15H14N4OS/c1-9-13(8-20)19-15(17-9)21-14(18-19)6-10-7-16-12-5-3-2-4-11(10)12/h2-5,7,16,20H,6,8H2,1H3
InChIKeyDYAWKIUQFDZIGE-UHFFFAOYSA-N
XLogP2.66
TPSA66.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(1H-indol-3-ylmethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol with MolForge

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Related Compounds

2-(1H-indol-3-yl)-N-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methyl]acetamide
CID 110867138
[5-(1H-indol-3-ylmethyl)-1-propyltriazol-4-yl]methanol
CID 82204977
2-(1H-indol-3-yl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]acetamide
CID 90547081
4-[2-(1H-indol-3-ylmethyl)-1,3-thiazol-4-yl]benzene-1,2-diol
CID 22332875
[2-(3-methoxyphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219724
2-(1H-indol-3-ylmethylamino)-N-methylacetamide
CID 60664269
4-(1H-indol-3-ylmethyl)-3,5-dimethyl-1,2-oxazole
CID 11550369
ethyl 2-[[2-(1H-indol-3-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 26266806
tert-butyl N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]carbamate
CID 59319901
2-(1H-indol-3-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 110746414
5-(1H-indol-3-ylmethyl)-1-propyltriazole-4-carboxylic acid
CID 82204836
2-N-(1H-indol-3-ylmethyl)-6-methylpyridine-2,5-diamine
CID 115147676

Frequently Asked Questions

What is the IUPAC name of [2-(1H-indol-3-ylmethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
The IUPAC name of [2-(1H-indol-3-ylmethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol (CID 82219731) is [2-(1H-indol-3-ylmethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol.
What is the SMILES notation for [2-(1H-indol-3-ylmethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
The canonical SMILES for [2-(1H-indol-3-ylmethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol is Cc1nc2sc(Cc3c[nH]c4ccccc34)nn2c1CO.
What is the InChIKey of [2-(1H-indol-3-ylmethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
The InChIKey is DYAWKIUQFDZIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c1-9-13(8-20)19-15(17-9)21-14(18-19)6-10-7-16-12-5-3-2-4-11(10)12/h2-5,7,16,20H,6,8H2,1H3.
What are the key properties of [2-(1H-indol-3-ylmethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
[2-(1H-indol-3-ylmethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol has a molecular weight of 298.37 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-indol-3-ylmethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol is sourced from PubChem (CID 82219731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).