N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide

C21H19N3O2S — CID 86264353

IUPACN-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide
SMILESCn1cc(C(O)CNC(=O)c2csc(-c3ccccc3)n2)c2ccccc21
InChIInChI=1S/C21H19N3O2S/c1-24-12-16(15-9-5-6-10-18(15)24)19(25)11-22-20(26)17-13-27-21(23-17)14-7-3-2-4-8-14/h2-10,12-13,19,25H,11H2,1H3,(H,22,26)
InChIKeyDNNLQKXLMGBMKU-UHFFFAOYSA-N
MW377.47 g/mol
LogP3.77
Rot. Bonds5

About N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide

N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 86264353) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide
PubChem CID86264353
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC NameN-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide
SMILESCn1cc(C(O)CNC(=O)c2csc(-c3ccccc3)n2)c2ccccc21
InChIInChI=1S/C21H19N3O2S/c1-24-12-16(15-9-5-6-10-18(15)24)19(25)11-22-20(26)17-13-27-21(23-17)14-7-3-2-4-8-14/h2-10,12-13,19,25H,11H2,1H3,(H,22,26)
InChIKeyDNNLQKXLMGBMKU-UHFFFAOYSA-N
XLogP3.77
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Bacillamide B
CID 24178902
[4-(hydroxymethyl)-1,3-thiazol-2-yl]-(1H-indol-3-yl)methanol
CID 168281419
Bacillamide
CID 11077881
2-[[1-(1,3-Thiazol-4-ylmethyl)indole-3-carbonyl]amino]benzoic acid
CID 172688327
N-[2-(1H-indol-3-yl)ethyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 24512611
2-benzyl-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 56895422
N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 60599281
N-[(3R,4R)-4-hydroxy-1-(1H-indol-5-ylmethyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 110133382
N-[(3R,4R)-4-hydroxy-1-(1H-indol-4-ylmethyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 118740360
methyl (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]butanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(1-methylindol-3-yl)pentanoate
CID 122521770
N-(2-hydroxy-2-(1-methyl-1H-indol-3-yl)ethyl)-2-(methylthio)benzamide
CID 71788663
N-(2-hydroxy-2-(1-methyl-1H-indol-3-yl)ethyl)benzo[d]thiazole-2-carboxamide
CID 71788667

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide (CID 86264353) is N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide is Cn1cc(C(O)CNC(=O)c2csc(-c3ccccc3)n2)c2ccccc21.
What is the InChIKey of N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is DNNLQKXLMGBMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S/c1-24-12-16(15-9-5-6-10-18(15)24)19(25)11-22-20(26)17-13-27-21(23-17)14-7-3-2-4-8-14/h2-10,12-13,19,25H,11H2,1H3,(H,22,26).
What are the key properties of N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide?
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 377.47 g/mol, XLogP of 3.77, 5 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]-2-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 86264353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).