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

C21H19N3O2S — CID 99982931

IUPACN-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide
SMILESCn1cc([C@@H](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)/t19-/m0/s1
InChIKeyDNNLQKXLMGBMKU-IBGZPJMESA-N
MW377.47 g/mol
LogP3.77
Rot. Bonds5

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

N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 99982931) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide
PubChem CID99982931
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC NameN-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide
SMILESCn1cc([C@@H](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)/t19-/m0/s1
InChIKeyDNNLQKXLMGBMKU-IBGZPJMESA-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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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide (CID 99982931) is N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide is Cn1cc([C@@H](O)CNC(=O)c2csc(-c3ccccc3)n2)c2ccccc21.
What is the InChIKey of N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is DNNLQKXLMGBMKU-IBGZPJMESA-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)/t19-/m0/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide?
N-[(2R)-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-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 99982931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).