5-butyl-2-methyl-1-(3-morpholin-4-ylpropyl)-4-(1,3-thiazol-2-yl)pyrrole-3-carboxamide

C20H30N4O2S — CID 4585564

IUPAC5-butyl-2-methyl-1-(3-morpholin-4-ylpropyl)-4-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
SMILESCCCCc1c(-c2nccs2)c(C(N)=O)c(C)n1CCCN1CCOCC1
InChIInChI=1S/C20H30N4O2S/c1-3-4-6-16-18(20-22-7-14-27-20)17(19(21)25)15(2)24(16)9-5-8-23-10-12-26-13-11-23/h7,14H,3-6,8-13H2,1-2H3,(H2,21,25)
InChIKeyXUROHBLSAQHOGE-UHFFFAOYSA-N
MW390.55 g/mol
LogP3.08
Rot. Bonds9

About 5-butyl-2-methyl-1-(3-morpholin-4-ylpropyl)-4-(1,3-thiazol-2-yl)pyrrole-3-carboxamide

5-butyl-2-methyl-1-(3-morpholin-4-ylpropyl)-4-(1,3-thiazol-2-yl)pyrrole-3-carboxamide (PubChem CID 4585564) has the molecular formula C20H30N4O2S and a molecular weight of 390.55 g/mol. Its IUPAC name is 5-butyl-2-methyl-1-(3-morpholin-4-ylpropyl)-4-(1,3-thiazol-2-yl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-butyl-2-methyl-1-(3-morpholin-4-ylpropyl)-4-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
PubChem CID4585564
Molecular FormulaC20H30N4O2S
Molecular Weight390.55 g/mol
Exact Mass390.21
IUPAC Name5-butyl-2-methyl-1-(3-morpholin-4-ylpropyl)-4-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
SMILESCCCCc1c(-c2nccs2)c(C(N)=O)c(C)n1CCCN1CCOCC1
InChIInChI=1S/C20H30N4O2S/c1-3-4-6-16-18(20-22-7-14-27-20)17(19(21)25)15(2)24(16)9-5-8-23-10-12-26-13-11-23/h7,14H,3-6,8-13H2,1-2H3,(H2,21,25)
InChIKeyXUROHBLSAQHOGE-UHFFFAOYSA-N
XLogP3.08
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.55
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-butyl-2-methyl-1-(3-morpholin-4-ylpropyl)-4-phenylpyrrole-3-carboxamide
CID 3861344
5-butyl-2-methyl-1-(3-methylbutyl)-4-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 3817588
5-butyl-2-methyl-1-prop-2-enyl-4-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 3766615
methyl 4-[2-butyl-4-carbamoyl-5-methyl-1-(3-morpholin-4-ylpropyl)pyrrol-3-yl]benzoate
CID 3854944
4-(3-hydroxyphenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)-5-pentylpyrrole-3-carboxamide
CID 3480119
4-[4-(dimethylamino)phenyl]-2-methyl-1-(3-morpholin-4-ylpropyl)-5-pentylpyrrole-3-carboxamide
CID 3666934
5-ethyl-2-methyl-1-(3-morpholin-4-ylpropyl)-4-pyridin-3-ylpyrrole-3-carboxamide
CID 3836326
4-(3-fluorophenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)-5-propylpyrrole-3-carboxamide
CID 3746110
5-ethyl-4-(3-hydroxyphenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxamide
CID 3608616
5-butyl-2-methyl-1-(2-piperidin-1-ylethyl)-4-thiophen-3-ylpyrrole-3-carboxamide
CID 3483517
methyl 3-[4-carbamoyl-3-(2-chlorophenyl)-5-methyl-1-(3-morpholin-4-ylpropyl)pyrrol-2-yl]propanoate
CID 3718926
5-butyl-2-methyl-4-(4-methylphenyl)-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide
CID 3756089

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-methyl-1-(3-morpholin-4-ylpropyl)-4-(1,3-thiazol-2-yl)pyrrole-3-carboxamide?
The IUPAC name of 5-butyl-2-methyl-1-(3-morpholin-4-ylpropyl)-4-(1,3-thiazol-2-yl)pyrrole-3-carboxamide (CID 4585564) is 5-butyl-2-methyl-1-(3-morpholin-4-ylpropyl)-4-(1,3-thiazol-2-yl)pyrrole-3-carboxamide.
What is the SMILES notation for 5-butyl-2-methyl-1-(3-morpholin-4-ylpropyl)-4-(1,3-thiazol-2-yl)pyrrole-3-carboxamide?
The canonical SMILES for 5-butyl-2-methyl-1-(3-morpholin-4-ylpropyl)-4-(1,3-thiazol-2-yl)pyrrole-3-carboxamide is CCCCc1c(-c2nccs2)c(C(N)=O)c(C)n1CCCN1CCOCC1.
What is the InChIKey of 5-butyl-2-methyl-1-(3-morpholin-4-ylpropyl)-4-(1,3-thiazol-2-yl)pyrrole-3-carboxamide?
The InChIKey is XUROHBLSAQHOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2S/c1-3-4-6-16-18(20-22-7-14-27-20)17(19(21)25)15(2)24(16)9-5-8-23-10-12-26-13-11-23/h7,14H,3-6,8-13H2,1-2H3,(H2,21,25).
What are the key properties of 5-butyl-2-methyl-1-(3-morpholin-4-ylpropyl)-4-(1,3-thiazol-2-yl)pyrrole-3-carboxamide?
5-butyl-2-methyl-1-(3-morpholin-4-ylpropyl)-4-(1,3-thiazol-2-yl)pyrrole-3-carboxamide has a molecular weight of 390.55 g/mol, XLogP of 3.08, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-methyl-1-(3-morpholin-4-ylpropyl)-4-(1,3-thiazol-2-yl)pyrrole-3-carboxamide is sourced from PubChem (CID 4585564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).