N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1,3-benzothiazole-2-carboxamide

C19H17N3O2S — CID 71788667

IUPACN-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1,3-benzothiazole-2-carboxamide
SMILESCn1cc(C(O)CNC(=O)c2nc3ccccc3s2)c2ccccc21
InChIInChI=1S/C19H17N3O2S/c1-22-11-13(12-6-2-4-8-15(12)22)16(23)10-20-18(24)19-21-14-7-3-5-9-17(14)25-19/h2-9,11,16,23H,10H2,1H3,(H,20,24)
InChIKeyMDGYJMTVGPRYSN-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.25
Rot. Bonds4

About N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1,3-benzothiazole-2-carboxamide

N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1,3-benzothiazole-2-carboxamide (PubChem CID 71788667) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1,3-benzothiazole-2-carboxamide
PubChem CID71788667
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC NameN-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1,3-benzothiazole-2-carboxamide
SMILESCn1cc(C(O)CNC(=O)c2nc3ccccc3s2)c2ccccc21
InChIInChI=1S/C19H17N3O2S/c1-22-11-13(12-6-2-4-8-15(12)22)16(23)10-20-18(24)19-21-14-7-3-5-9-17(14)25-19/h2-9,11,16,23H,10H2,1H3,(H,20,24)
InChIKeyMDGYJMTVGPRYSN-UHFFFAOYSA-N
XLogP3.25
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(hydroxymethyl)-1,3-thiazol-2-yl]-(1H-indol-3-yl)methanol
CID 168281419
4-[(3-{2-[(2-Methoxyethyl)amino]-2-oxoethyl}-1,3-benzothiazol-3-ium-2-yl)methyl]-1-methylquinolin-1-ium
CID 137349259
1-(1,3-benzothiazol-2-yl)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanol
CID 17390823
(1R)-1-(1,3-benzothiazol-2-yl)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanol;hydrate
CID 168331175
N-(2-hydroxy-2-(naphthalen-1-yl)ethyl)benzo[d]thiazole-2-carboxamide
CID 56764115
N-(2-hydroxy-2-(1-methyl-1H-pyrrol-2-yl)ethyl)benzo[d]thiazole-2-carboxamide
CID 71781586
N1-(2-hydroxy-2-(1-methyl-1H-indol-3-yl)ethyl)-N2-(thiophen-2-ylmethyl)oxalamide
CID 71788706
N1-(2-hydroxy-2-(1-methyl-1H-indol-3-yl)ethyl)-N2-(2-(methylthio)phenyl)oxalamide
CID 71788713
1-(2-hydroxy-2-(1-methyl-1H-indol-3-yl)ethyl)-3-(thiophen-2-yl)urea
CID 71788720
N-(2-hydroxy-2-(1-methyl-1H-indol-3-yl)ethyl)benzo[d]thiazole-6-carboxamide
CID 86264352
N-(2-hydroxy-2-(1-methyl-1H-indol-3-yl)ethyl)-2-phenylthiazole-4-carboxamide
CID 86264353
N-[(R)-2-hydroxy-2-(1-methyl-3-indolyl)ethyl]-3-thenamide
CID 97414000

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1,3-benzothiazole-2-carboxamide (CID 71788667) is N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1,3-benzothiazole-2-carboxamide is Cn1cc(C(O)CNC(=O)c2nc3ccccc3s2)c2ccccc21.
What is the InChIKey of N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1,3-benzothiazole-2-carboxamide?
The InChIKey is MDGYJMTVGPRYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S/c1-22-11-13(12-6-2-4-8-15(12)22)16(23)10-20-18(24)19-21-14-7-3-5-9-17(14)25-19/h2-9,11,16,23H,10H2,1H3,(H,20,24).
What are the key properties of N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1,3-benzothiazole-2-carboxamide?
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1,3-benzothiazole-2-carboxamide has a molecular weight of 351.43 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 71788667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).