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

C15H22N4O2S — CID 135652767

IUPAC4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-imino-1-(2-morpholin-4-ylethyl)-2H-pyrrol-3-ol
SMILES[H]/N=C1/C(c2nc(C)c(C)s2)=C(O)CN1CCN1CCOCC1
InChIInChI=1S/C15H22N4O2S/c1-10-11(2)22-15(17-10)13-12(20)9-19(14(13)16)4-3-18-5-7-21-8-6-18/h16,20H,3-9H2,1-2H3/b16-14-
InChIKeyCFJWLXPIBCCSAU-PEZBUJJGSA-N
MW322.43 g/mol
LogP1.65
Rot. Bonds4

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

4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-imino-1-(2-morpholin-4-ylethyl)-2H-pyrrol-3-ol (PubChem CID 135652767) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is 4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-imino-1-(2-morpholin-4-ylethyl)-2H-pyrrol-3-ol.

Molecular Properties

Compound Name4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-imino-1-(2-morpholin-4-ylethyl)-2H-pyrrol-3-ol
PubChem CID135652767
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC Name4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-imino-1-(2-morpholin-4-ylethyl)-2H-pyrrol-3-ol
SMILES[H]/N=C1/C(c2nc(C)c(C)s2)=C(O)CN1CCN1CCOCC1
InChIInChI=1S/C15H22N4O2S/c1-10-11(2)22-15(17-10)13-12(20)9-19(14(13)16)4-3-18-5-7-21-8-6-18/h16,20H,3-9H2,1-2H3/b16-14-
InChIKeyCFJWLXPIBCCSAU-PEZBUJJGSA-N
XLogP1.65
TPSA72.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.65
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

4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-imino-1-(2-methoxyethyl)-2,5-dihydro-1H-pyrrol-3-ol
CID 135653584
4-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N'-hydroxymorpholine-2-carboximidamide
CID 80312335
4-[(4,5-Dimethyl-1,3-thiazol-2-yl)methyl]morpholine-2-carboximidamide
CID 80312966
4-Methyl-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboximidamide
CID 82427537
4-Methyl-2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboximidamide
CID 82427742
N'-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboximidamide
CID 111817356
2-[(4,5-Dimethyl-1,3-thiazol-2-yl)methyl]-1-ethyl-3-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)guanidine
CID 112203485
N'-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methylmorpholine-4-carboximidamide
CID 120661740
5-amino-4-(4-methyl-1,3-thiazol-2-yl)-1-(2-morpholin-4-ylethyl)-1,2-dihydro-3H-pyrrol-3-one
CID 135652707
5-amino-4-(4-methyl-1,3-thiazol-2-yl)-1-[3-(morpholin-4-yl)propyl]-1,2-dihydro-3H-pyrrol-3-one
CID 135652849
5-amino-4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-hydroxypropyl)-1,2-dihydro-3H-pyrrol-3-one
CID 135652927
4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-imino-1-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-ol
CID 135652938

Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-imino-1-(2-morpholin-4-ylethyl)-2H-pyrrol-3-ol?
The IUPAC name of 4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-imino-1-(2-morpholin-4-ylethyl)-2H-pyrrol-3-ol (CID 135652767) is 4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-imino-1-(2-morpholin-4-ylethyl)-2H-pyrrol-3-ol.
What is the SMILES notation for 4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-imino-1-(2-morpholin-4-ylethyl)-2H-pyrrol-3-ol?
The canonical SMILES for 4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-imino-1-(2-morpholin-4-ylethyl)-2H-pyrrol-3-ol is [H]/N=C1/C(c2nc(C)c(C)s2)=C(O)CN1CCN1CCOCC1.
What is the InChIKey of 4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-imino-1-(2-morpholin-4-ylethyl)-2H-pyrrol-3-ol?
The InChIKey is CFJWLXPIBCCSAU-PEZBUJJGSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-10-11(2)22-15(17-10)13-12(20)9-19(14(13)16)4-3-18-5-7-21-8-6-18/h16,20H,3-9H2,1-2H3/b16-14-.
What are the key properties of 4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-imino-1-(2-morpholin-4-ylethyl)-2H-pyrrol-3-ol?
4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-imino-1-(2-morpholin-4-ylethyl)-2H-pyrrol-3-ol has a molecular weight of 322.43 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-imino-1-(2-morpholin-4-ylethyl)-2H-pyrrol-3-ol is sourced from PubChem (CID 135652767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).