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

C14H20N4O2S — CID 135652707

IUPAC5-imino-4-(4-methyl-1,3-thiazol-2-yl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-3-ol
SMILES[H]/N=C1/C(c2nc(C)cs2)=C(O)CN1CCN1CCOCC1
InChIInChI=1S/C14H20N4O2S/c1-10-9-21-14(16-10)12-11(19)8-18(13(12)15)3-2-17-4-6-20-7-5-17/h9,15,19H,2-8H2,1H3/b15-13-
InChIKeyNUPCKTMRTYVVEQ-SQFISAMPSA-N
MW308.41 g/mol
LogP1.35
Rot. Bonds4

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

5-imino-4-(4-methyl-1,3-thiazol-2-yl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-3-ol (PubChem CID 135652707) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 5-imino-4-(4-methyl-1,3-thiazol-2-yl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-3-ol.

Molecular Properties

Compound Name5-imino-4-(4-methyl-1,3-thiazol-2-yl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-3-ol
PubChem CID135652707
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name5-imino-4-(4-methyl-1,3-thiazol-2-yl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-3-ol
SMILES[H]/N=C1/C(c2nc(C)cs2)=C(O)CN1CCN1CCOCC1
InChIInChI=1S/C14H20N4O2S/c1-10-9-21-14(16-10)12-11(19)8-18(13(12)15)3-2-17-4-6-20-7-5-17/h9,15,19H,2-8H2,1H3/b15-13-
InChIKeyNUPCKTMRTYVVEQ-SQFISAMPSA-N
XLogP1.35
TPSA72.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.35
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
1-(butan-2-yl)-5-imino-4-(4-methyl-1,3-thiazol-2-yl)-2,5-dihydro-1H-pyrrol-3-ol
CID 135450310
N,N-dimethyl-1-[4-[2-[(4-morpholin-4-yl-1-oxido-1,2,5-thiadiazol-1-ium-3-ylidene)amino]ethylsulfanylmethyl]-1,3-thiazol-2-yl]methanamine
CID 173393909
2-(4-Methyl-1,3-thiazol-2-yl)-1-morpholin-4-ylethanimine
CID 63179484
4-[(2-Methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboximidamide
CID 79681005
N'-hydroxy-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboximidamide
CID 79681759
N'-hydroxy-4-[(4-methyl-1,3-thiazol-2-yl)methyl]morpholine-2-carboximidamide
CID 80312248
4-[(4-Methyl-1,3-thiazol-2-yl)methyl]morpholine-2-carboximidamide
CID 80312967
2-(2-Morpholin-4-ylethyl)-1,3-thiazole-4-carboximidamide
CID 82515195
N'-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]morpholine-4-carboximidamide
CID 111085147
1-[(2-Ethyl-1,3-thiazol-4-yl)methylamino]-2-methyl-3-morpholin-4-ylpropan-2-ol
CID 111468323
N'-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine-4-carboximidamide
CID 111802562

Frequently Asked Questions

What is the IUPAC name of 5-imino-4-(4-methyl-1,3-thiazol-2-yl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-3-ol?
The IUPAC name of 5-imino-4-(4-methyl-1,3-thiazol-2-yl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-3-ol (CID 135652707) is 5-imino-4-(4-methyl-1,3-thiazol-2-yl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-3-ol.
What is the SMILES notation for 5-imino-4-(4-methyl-1,3-thiazol-2-yl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-3-ol?
The canonical SMILES for 5-imino-4-(4-methyl-1,3-thiazol-2-yl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-3-ol is [H]/N=C1/C(c2nc(C)cs2)=C(O)CN1CCN1CCOCC1.
What is the InChIKey of 5-imino-4-(4-methyl-1,3-thiazol-2-yl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-3-ol?
The InChIKey is NUPCKTMRTYVVEQ-SQFISAMPSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-10-9-21-14(16-10)12-11(19)8-18(13(12)15)3-2-17-4-6-20-7-5-17/h9,15,19H,2-8H2,1H3/b15-13-.
What are the key properties of 5-imino-4-(4-methyl-1,3-thiazol-2-yl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-3-ol?
5-imino-4-(4-methyl-1,3-thiazol-2-yl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-3-ol has a molecular weight of 308.41 g/mol, XLogP of 1.35, 4 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-(2-morpholin-4-ylethyl)-2H-pyrrol-3-ol is sourced from PubChem (CID 135652707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).