N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-phenylmorpholine-4-carboximidamide;hydrochloride

C14H19ClN4OS — CID 70538717

IUPACN'-(4,5-dihydro-1,3-thiazol-2-yl)-N-phenylmorpholine-4-carboximidamide;hydrochloride
SMILESCl.c1ccc(NC(=NC2=NCCS2)N2CCOCC2)cc1
InChIInChI=1S/C14H18N4OS.ClH/c1-2-4-12(5-3-1)16-13(17-14-15-6-11-20-14)18-7-9-19-10-8-18;/h1-5H,6-11H2,(H,15,16,17);1H
InChIKeyJTLAQTLTULSLSW-UHFFFAOYSA-N
MW326.85 g/mol
LogP2.31
Rot. Bonds1

About N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-phenylmorpholine-4-carboximidamide;hydrochloride

N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-phenylmorpholine-4-carboximidamide;hydrochloride (PubChem CID 70538717) has the molecular formula C14H19ClN4OS and a molecular weight of 326.85 g/mol. Its IUPAC name is N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-phenylmorpholine-4-carboximidamide;hydrochloride.

Molecular Properties

Compound NameN'-(4,5-dihydro-1,3-thiazol-2-yl)-N-phenylmorpholine-4-carboximidamide;hydrochloride
PubChem CID70538717
Molecular FormulaC14H19ClN4OS
Molecular Weight326.85 g/mol
Exact Mass326.10
IUPAC NameN'-(4,5-dihydro-1,3-thiazol-2-yl)-N-phenylmorpholine-4-carboximidamide;hydrochloride
SMILESCl.c1ccc(NC(=NC2=NCCS2)N2CCOCC2)cc1
InChIInChI=1S/C14H18N4OS.ClH/c1-2-4-12(5-3-1)16-13(17-14-15-6-11-20-14)18-7-9-19-10-8-18;/h1-5H,6-11H2,(H,15,16,17);1H
InChIKeyJTLAQTLTULSLSW-UHFFFAOYSA-N
XLogP2.31
TPSA49.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N,N'-diphenylmorpholine-4-carboximidamide;hydroiodide
CID 17383253
N'-(2,3,4,5,6,7-hexahydroazocin-8-yl)-N-phenylmorpholine-4-carboximidamide
CID 70452833
N'-(3,6-dihydro-2H-1,4-thiazin-5-yl)-N-phenylpyrrolidine-1-carboximidamide
CID 70592377
N-phenylmorpholine-4-carbothioamide
CID 139054920
N-methyl-N-(phenylcarbamoyl)morpholine-4-carboxamide
CID 12876147
N-phenyl-4,5-dihydro-1,3-thiazole-2-carboxamide
CID 6425269
3-morpholin-4-yl-2-nitro-1-N,1-N'-diphenyl-3-phenyliminoprop-1-ene-1,1-diamine
CID 100954106
4-morpholin-4-yl-4-oxo-N-phenylbutanamide
CID 9341047
N-morpholin-4-yl-N-(phenylcarbamoyl)formamide
CID 174345138
N'-benzyl-N-(4-nitrophenyl)morpholine-4-carboximidamide
CID 132838246
4-(morpholine-4-carbonyl)-N-phenylcyclohexane-1-carboxamide
CID 109146802
N'-(4-methylphenyl)-N-phenylpiperidine-1-carboximidamide
CID 138974908

Frequently Asked Questions

What is the IUPAC name of N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-phenylmorpholine-4-carboximidamide;hydrochloride?
The IUPAC name of N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-phenylmorpholine-4-carboximidamide;hydrochloride (CID 70538717) is N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-phenylmorpholine-4-carboximidamide;hydrochloride.
What is the SMILES notation for N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-phenylmorpholine-4-carboximidamide;hydrochloride?
The canonical SMILES for N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-phenylmorpholine-4-carboximidamide;hydrochloride is Cl.c1ccc(NC(=NC2=NCCS2)N2CCOCC2)cc1.
What is the InChIKey of N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-phenylmorpholine-4-carboximidamide;hydrochloride?
The InChIKey is JTLAQTLTULSLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS.ClH/c1-2-4-12(5-3-1)16-13(17-14-15-6-11-20-14)18-7-9-19-10-8-18;/h1-5H,6-11H2,(H,15,16,17);1H.
What are the key properties of N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-phenylmorpholine-4-carboximidamide;hydrochloride?
N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-phenylmorpholine-4-carboximidamide;hydrochloride has a molecular weight of 326.85 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-phenylmorpholine-4-carboximidamide;hydrochloride is sourced from PubChem (CID 70538717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).