N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-4-phenyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide

C20H23N3O2S — CID 124848878

IUPACN-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-4-phenyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
SMILESCC[C@@H](C)[C@H](CO)NC(=O)c1sc(-n2cccc2)nc1-c1ccccc1
InChIInChI=1S/C20H23N3O2S/c1-3-14(2)16(13-24)21-19(25)18-17(15-9-5-4-6-10-15)22-20(26-18)23-11-7-8-12-23/h4-12,14,16,24H,3,13H2,1-2H3,(H,21,25)/t14-,16+/m1/s1
InChIKeyNOMBALYSRQNSKX-ZBFHGGJFSA-N
MW369.49 g/mol
LogP3.74
Rot. Bonds7

About N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-4-phenyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide

N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-4-phenyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide (PubChem CID 124848878) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-4-phenyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-4-phenyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
PubChem CID124848878
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC NameN-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-4-phenyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
SMILESCC[C@@H](C)[C@H](CO)NC(=O)c1sc(-n2cccc2)nc1-c1ccccc1
InChIInChI=1S/C20H23N3O2S/c1-3-14(2)16(13-24)21-19(25)18-17(15-9-5-4-6-10-15)22-20(26-18)23-11-7-8-12-23/h4-12,14,16,24H,3,13H2,1-2H3,(H,21,25)/t14-,16+/m1/s1
InChIKeyNOMBALYSRQNSKX-ZBFHGGJFSA-N
XLogP3.74
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-4-phenyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-4-phenyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-4-phenyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide (CID 124848878) is N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-4-phenyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-4-phenyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-4-phenyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide is CC[C@@H](C)[C@H](CO)NC(=O)c1sc(-n2cccc2)nc1-c1ccccc1.
What is the InChIKey of N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-4-phenyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The InChIKey is NOMBALYSRQNSKX-ZBFHGGJFSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-3-14(2)16(13-24)21-19(25)18-17(15-9-5-4-6-10-15)22-20(26-18)23-11-7-8-12-23/h4-12,14,16,24H,3,13H2,1-2H3,(H,21,25)/t14-,16+/m1/s1.
What are the key properties of N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-4-phenyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-4-phenyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-4-phenyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 124848878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).