N'-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine-4-carboximidamide

C12H20N4OS — CID 111802562

IUPACN'-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine-4-carboximidamide
SMILESCC(C)c1nc(C/N=C(\N)N2CCOCC2)cs1
InChIInChI=1S/C12H20N4OS/c1-9(2)11-15-10(8-18-11)7-14-12(13)16-3-5-17-6-4-16/h8-9H,3-7H2,1-2H3,(H2,13,14)
InChIKeyOGCCCOMIHWTUAG-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.41
Rot. Bonds3

About N'-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine-4-carboximidamide

N'-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine-4-carboximidamide (PubChem CID 111802562) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is N'-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine-4-carboximidamide
PubChem CID111802562
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC NameN'-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine-4-carboximidamide
SMILESCC(C)c1nc(C/N=C(\N)N2CCOCC2)cs1
InChIInChI=1S/C12H20N4OS/c1-9(2)11-15-10(8-18-11)7-14-12(13)16-3-5-17-6-4-16/h8-9H,3-7H2,1-2H3,(H2,13,14)
InChIKeyOGCCCOMIHWTUAG-UHFFFAOYSA-N
XLogP1.41
TPSA63.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.41
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

4-(Morpholin-4-ylmethyl)-1,3-thiazol-2-amine
CID 2125344
4-[(2-Propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine
CID 51086508
4-((2,6-Dimethylmorpholin-4-yl)methyl)-1,3-thiazol-2-amine
CID 16227646
N'-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]azepane-1-carboximidamide
CID 129432354
(2S,6R)-2,6-dimethyl-N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine-4-carboximidamide
CID 136589466
3-(3-Fluoropropyl)-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,2-dimethylguanidine
CID 109454488
3-Ethyl-2-(3-fluoropropyl)-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methylguanidine
CID 109455802
1-Ethyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine;hydroiodide
CID 111615089
1-Ethyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine
CID 111615090
2-Methyl-1-(2-morpholin-4-ylethyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine;hydroiodide
CID 111615849
2-Methyl-1-(2-morpholin-4-ylethyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine
CID 111615850
2-Methyl-1-[(4-methylmorpholin-2-yl)methyl]-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine
CID 111616174

Frequently Asked Questions

What is the IUPAC name of N'-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine-4-carboximidamide?
The IUPAC name of N'-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine-4-carboximidamide (CID 111802562) is N'-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine-4-carboximidamide?
The canonical SMILES for N'-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine-4-carboximidamide is CC(C)c1nc(C/N=C(\N)N2CCOCC2)cs1.
What is the InChIKey of N'-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine-4-carboximidamide?
The InChIKey is OGCCCOMIHWTUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-9(2)11-15-10(8-18-11)7-14-12(13)16-3-5-17-6-4-16/h8-9H,3-7H2,1-2H3,(H2,13,14).
What are the key properties of N'-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine-4-carboximidamide?
N'-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine-4-carboximidamide has a molecular weight of 268.39 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine-4-carboximidamide is sourced from PubChem (CID 111802562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).