5-imino-4-(4-methyl-1,3-thiazol-2-yl)-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-3-ol

C15H22N4O2S — CID 135652849

IUPAC5-imino-4-(4-methyl-1,3-thiazol-2-yl)-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-3-ol
SMILES[H]/N=C1/C(c2nc(C)cs2)=C(O)CN1CCCN1CCOCC1
InChIInChI=1S/C15H22N4O2S/c1-11-10-22-15(17-11)13-12(20)9-19(14(13)16)4-2-3-18-5-7-21-8-6-18/h10,16,20H,2-9H2,1H3/b16-14-
InChIKeyJSFBWJZKCISKFD-PEZBUJJGSA-N
MW322.43 g/mol
LogP1.74
Rot. Bonds5

About 5-imino-4-(4-methyl-1,3-thiazol-2-yl)-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-3-ol

5-imino-4-(4-methyl-1,3-thiazol-2-yl)-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-3-ol (PubChem CID 135652849) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is 5-imino-4-(4-methyl-1,3-thiazol-2-yl)-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-3-ol.

Molecular Properties

Compound Name5-imino-4-(4-methyl-1,3-thiazol-2-yl)-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-3-ol
PubChem CID135652849
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC Name5-imino-4-(4-methyl-1,3-thiazol-2-yl)-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-3-ol
SMILES[H]/N=C1/C(c2nc(C)cs2)=C(O)CN1CCCN1CCOCC1
InChIInChI=1S/C15H22N4O2S/c1-11-10-22-15(17-11)13-12(20)9-19(14(13)16)4-2-3-18-5-7-21-8-6-18/h10,16,20H,2-9H2,1H3/b16-14-
InChIKeyJSFBWJZKCISKFD-PEZBUJJGSA-N
XLogP1.74
TPSA72.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-imino-4-(4-methyl-1,3-thiazol-2-yl)-1-[[(2R)-oxolan-2-yl]methyl]-2H-pyrrol-3-ol
CID 135924981
(2S,6R)-2,6-dimethyl-N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine-4-carboximidamide
CID 136589466
1-(butan-2-yl)-5-imino-4-(4-methyl-1,3-thiazol-2-yl)-2,5-dihydro-1H-pyrrol-3-ol
CID 135450310
4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-imino-1-(2-methoxyethyl)-2,5-dihydro-1H-pyrrol-3-ol
CID 135653584
2-(4-Methyl-1,3-thiazol-2-yl)-1-morpholin-4-ylethanimine
CID 63179484
N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine-4-carboximidamide
CID 110032592
2-methyl-N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine-4-carboximidamide;hydroiodide
CID 120662075
2-methyl-N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine-4-carboximidamide
CID 120662076
5-amino-1-cyclohexyl-4-(4-methylthiazol-2-yl)-1H-pyrrol-3(2H)-one
CID 135649535
5-amino-1-(2-methoxyethyl)-4-(4-methylthiazol-2-yl)-1H-pyrrol-3(2H)-one
CID 135652694
5-imino-4-(4-methyl-1,3-thiazol-2-yl)-1-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-ol
CID 135652697
5-imino-1-(3-methylbutyl)-4-(4-methyl-1,3-thiazol-2-yl)-2,5-dihydro-1H-pyrrol-3-ol
CID 135652701

Frequently Asked Questions

What is the IUPAC name of 5-imino-4-(4-methyl-1,3-thiazol-2-yl)-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-3-ol?
The IUPAC name of 5-imino-4-(4-methyl-1,3-thiazol-2-yl)-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-3-ol (CID 135652849) is 5-imino-4-(4-methyl-1,3-thiazol-2-yl)-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-3-ol.
What is the SMILES notation for 5-imino-4-(4-methyl-1,3-thiazol-2-yl)-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-3-ol?
The canonical SMILES for 5-imino-4-(4-methyl-1,3-thiazol-2-yl)-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-3-ol is [H]/N=C1/C(c2nc(C)cs2)=C(O)CN1CCCN1CCOCC1.
What is the InChIKey of 5-imino-4-(4-methyl-1,3-thiazol-2-yl)-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-3-ol?
The InChIKey is JSFBWJZKCISKFD-PEZBUJJGSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-11-10-22-15(17-11)13-12(20)9-19(14(13)16)4-2-3-18-5-7-21-8-6-18/h10,16,20H,2-9H2,1H3/b16-14-.
What are the key properties of 5-imino-4-(4-methyl-1,3-thiazol-2-yl)-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-3-ol?
5-imino-4-(4-methyl-1,3-thiazol-2-yl)-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-3-ol has a molecular weight of 322.43 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imino-4-(4-methyl-1,3-thiazol-2-yl)-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-3-ol is sourced from PubChem (CID 135652849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).