4-propan-2-yl-N-[(4-propan-2-yloxyphenyl)methyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide

C21H25N3O2S — CID 53134372

IUPAC4-propan-2-yl-N-[(4-propan-2-yloxyphenyl)methyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
SMILESCC(C)Oc1ccc(CNC(=O)c2sc(-n3cccc3)nc2C(C)C)cc1
InChIInChI=1S/C21H25N3O2S/c1-14(2)18-19(27-21(23-18)24-11-5-6-12-24)20(25)22-13-16-7-9-17(10-8-16)26-15(3)4/h5-12,14-15H,13H2,1-4H3,(H,22,25)
InChIKeyCACMCDHFGGTGBZ-UHFFFAOYSA-N
MW383.52 g/mol
LogP4.77
Rot. Bonds7

About 4-propan-2-yl-N-[(4-propan-2-yloxyphenyl)methyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide

4-propan-2-yl-N-[(4-propan-2-yloxyphenyl)methyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide (PubChem CID 53134372) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is 4-propan-2-yl-N-[(4-propan-2-yloxyphenyl)methyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-propan-2-yl-N-[(4-propan-2-yloxyphenyl)methyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
PubChem CID53134372
Molecular FormulaC21H25N3O2S
Molecular Weight383.52 g/mol
Exact Mass383.17
IUPAC Name4-propan-2-yl-N-[(4-propan-2-yloxyphenyl)methyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
SMILESCC(C)Oc1ccc(CNC(=O)c2sc(-n3cccc3)nc2C(C)C)cc1
InChIInChI=1S/C21H25N3O2S/c1-14(2)18-19(27-21(23-18)24-11-5-6-12-24)20(25)22-13-16-7-9-17(10-8-16)26-15(3)4/h5-12,14-15H,13H2,1-4H3,(H,22,25)
InChIKeyCACMCDHFGGTGBZ-UHFFFAOYSA-N
XLogP4.77
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-chloro-4-fluorophenyl)methyl]-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 53134354
N-(4-ethoxyphenyl)-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 53134325
N-[(2-methoxyphenyl)methyl]-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 53134343
4-propan-2-yl-2-pyrrol-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 53134356
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 95092727
N-[(4-methoxyphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazole-5-carboxamide
CID 53125052
N-[(1S)-1-phenylethyl]-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 95092719
N-[(3,4-dimethoxyphenyl)methyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 42581776
2-(2-ethylanilino)-4-methyl-N-[(4-propan-2-yloxyphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 53365490
4-oxo-N-[(4-propan-2-yloxyphenyl)methyl]-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
CID 46326206
4-oxo-N-[(4-propan-2-yloxyphenyl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 134057826
2-[(4-methoxyphenyl)methylamino]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 54838126

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-[(4-propan-2-yloxyphenyl)methyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-propan-2-yl-N-[(4-propan-2-yloxyphenyl)methyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide (CID 53134372) is 4-propan-2-yl-N-[(4-propan-2-yloxyphenyl)methyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-propan-2-yl-N-[(4-propan-2-yloxyphenyl)methyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-propan-2-yl-N-[(4-propan-2-yloxyphenyl)methyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide is CC(C)Oc1ccc(CNC(=O)c2sc(-n3cccc3)nc2C(C)C)cc1.
What is the InChIKey of 4-propan-2-yl-N-[(4-propan-2-yloxyphenyl)methyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The InChIKey is CACMCDHFGGTGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2S/c1-14(2)18-19(27-21(23-18)24-11-5-6-12-24)20(25)22-13-16-7-9-17(10-8-16)26-15(3)4/h5-12,14-15H,13H2,1-4H3,(H,22,25).
What are the key properties of 4-propan-2-yl-N-[(4-propan-2-yloxyphenyl)methyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
4-propan-2-yl-N-[(4-propan-2-yloxyphenyl)methyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide has a molecular weight of 383.52 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-[(4-propan-2-yloxyphenyl)methyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53134372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).