4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-5-imino-2H-pyrrol-3-ol

C16H24N4OS — CID 135653479

IUPAC4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-5-imino-2H-pyrrol-3-ol
SMILES[H]/N=C1/C(c2nc(C)c(C)s2)=C(O)CN1CC1CCCN1CC
InChIInChI=1S/C16H24N4OS/c1-4-19-7-5-6-12(19)8-20-9-13(21)14(15(20)17)16-18-10(2)11(3)22-16/h12,17,21H,4-9H2,1-3H3/b17-15-
InChIKeyFAURLBWQCVROTF-ICFOKQHNSA-N
MW320.46 g/mol
LogP2.81
Rot. Bonds4

About 4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-5-imino-2H-pyrrol-3-ol

4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-5-imino-2H-pyrrol-3-ol (PubChem CID 135653479) has the molecular formula C16H24N4OS and a molecular weight of 320.46 g/mol. Its IUPAC name is 4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-5-imino-2H-pyrrol-3-ol.

Molecular Properties

Compound Name4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-5-imino-2H-pyrrol-3-ol
PubChem CID135653479
Molecular FormulaC16H24N4OS
Molecular Weight320.46 g/mol
Exact Mass320.17
IUPAC Name4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-5-imino-2H-pyrrol-3-ol
SMILES[H]/N=C1/C(c2nc(C)c(C)s2)=C(O)CN1CC1CCCN1CC
InChIInChI=1S/C16H24N4OS/c1-4-19-7-5-6-12(19)8-20-9-13(21)14(15(20)17)16-18-10(2)11(3)22-16/h12,17,21H,4-9H2,1-3H3/b17-15-
InChIKeyFAURLBWQCVROTF-ICFOKQHNSA-N
XLogP2.81
TPSA63.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-5-imino-2H-pyrrol-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclooctyl-4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-imino-2,5-dihydro-1H-pyrrol-3-ol
CID 135653035
4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-imino-1-(2-methoxyethyl)-2,5-dihydro-1H-pyrrol-3-ol
CID 135653584
1-{3-[3-(4,5-dimethyl-1,3-thiazol-2-yl)-4-hydroxy-2-imino-2,5-dihydro-1H-pyrrol-1-yl]propyl}pyrrolidin-2-one
CID 135653713
4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-imino-1-(2,2,6,6-tetramethylpiperidin-4-yl)-2,5-dihydro-1H-pyrrol-3-ol
CID 135652713
4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-imino-1-[2-(morpholin-4-yl)ethyl]-2,5-dihydro-1H-pyrrol-3-ol
CID 135652767
4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-imino-1-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-ol
CID 135652938
5-amino-4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-hydroxypropyl)-1,2-dihydro-3H-pyrrol-3-one
CID 135653011
4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-imino-1-(6-methylheptan-2-yl)-2,5-dihydro-1H-pyrrol-3-ol
CID 135653042
4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-imino-1-(3-methylbutyl)-2,5-dihydro-1H-pyrrol-3-ol
CID 135653132
4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-imino-1-(2-methylpropyl)-2,5-dihydro-1H-pyrrol-3-ol
CID 135653284
1-cyclopropyl-4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-imino-2,5-dihydro-1H-pyrrol-3-ol
CID 135653295
4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-imino-1-(3-methoxypropyl)-2,5-dihydro-1H-pyrrol-3-ol
CID 135653610

Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-5-imino-2H-pyrrol-3-ol?
The IUPAC name of 4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-5-imino-2H-pyrrol-3-ol (CID 135653479) is 4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-5-imino-2H-pyrrol-3-ol.
What is the SMILES notation for 4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-5-imino-2H-pyrrol-3-ol?
The canonical SMILES for 4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-5-imino-2H-pyrrol-3-ol is [H]/N=C1/C(c2nc(C)c(C)s2)=C(O)CN1CC1CCCN1CC.
What is the InChIKey of 4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-5-imino-2H-pyrrol-3-ol?
The InChIKey is FAURLBWQCVROTF-ICFOKQHNSA-N. The full InChI is InChI=1S/C16H24N4OS/c1-4-19-7-5-6-12(19)8-20-9-13(21)14(15(20)17)16-18-10(2)11(3)22-16/h12,17,21H,4-9H2,1-3H3/b17-15-.
What are the key properties of 4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-5-imino-2H-pyrrol-3-ol?
4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-5-imino-2H-pyrrol-3-ol has a molecular weight of 320.46 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-5-imino-2H-pyrrol-3-ol is sourced from PubChem (CID 135653479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).