N'-[(2-methyl-1,3-thiazol-5-yl)methyl]thiomorpholine-4-carboximidamide

C10H16N4S2 — CID 111078321

IUPACN'-[(2-methyl-1,3-thiazol-5-yl)methyl]thiomorpholine-4-carboximidamide
SMILESCc1ncc(C/N=C(\N)N2CCSCC2)s1
InChIInChI=1S/C10H16N4S2/c1-8-12-6-9(16-8)7-13-10(11)14-2-4-15-5-3-14/h6H,2-5,7H2,1H3,(H2,11,13)
InChIKeyIUAPWFNZYPPXLL-UHFFFAOYSA-N
MW256.40 g/mol
LogP1.32
Rot. Bonds2

About N'-[(2-methyl-1,3-thiazol-5-yl)methyl]thiomorpholine-4-carboximidamide

N'-[(2-methyl-1,3-thiazol-5-yl)methyl]thiomorpholine-4-carboximidamide (PubChem CID 111078321) has the molecular formula C10H16N4S2 and a molecular weight of 256.40 g/mol. Its IUPAC name is N'-[(2-methyl-1,3-thiazol-5-yl)methyl]thiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[(2-methyl-1,3-thiazol-5-yl)methyl]thiomorpholine-4-carboximidamide
PubChem CID111078321
Molecular FormulaC10H16N4S2
Molecular Weight256.40 g/mol
Exact Mass256.08
IUPAC NameN'-[(2-methyl-1,3-thiazol-5-yl)methyl]thiomorpholine-4-carboximidamide
SMILESCc1ncc(C/N=C(\N)N2CCSCC2)s1
InChIInChI=1S/C10H16N4S2/c1-8-12-6-9(16-8)7-13-10(11)14-2-4-15-5-3-14/h6H,2-5,7H2,1H3,(H2,11,13)
InChIKeyIUAPWFNZYPPXLL-UHFFFAOYSA-N
XLogP1.32
TPSA54.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.40
LogP ≤ 51.32
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'-[(5-chlorothiophen-2-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 119119247
N'-[(2-methyl-1,3-thiazol-5-yl)methyl]propanimidamide
CID 63176642
N'-[(2-ethylphenyl)methyl]thiomorpholine-4-carboximidamide
CID 111817688
N'-[(4-hydroxy-3,5-dimethylphenyl)methyl]thiomorpholine-4-carboximidamide
CID 111067942
N'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]thiomorpholine-4-carboximidamide
CID 120663168
N'-[(6-chloro-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111041968
N'-[(6-methyl-2-pyridinyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111062706
N'-[[6-(diethylamino)-3-pyridinyl]methyl]thiomorpholine-4-carboximidamide
CID 111048972
N'-[(2,4-dimethylphenyl)methyl]thiomorpholine-4-carboximidamide
CID 111051638
N'-[(5-ethyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboximidamide
CID 111822147
N'-[(6-propoxy-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide
CID 111804494
N'-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111813933

Frequently Asked Questions

What is the IUPAC name of N'-[(2-methyl-1,3-thiazol-5-yl)methyl]thiomorpholine-4-carboximidamide?
The IUPAC name of N'-[(2-methyl-1,3-thiazol-5-yl)methyl]thiomorpholine-4-carboximidamide (CID 111078321) is N'-[(2-methyl-1,3-thiazol-5-yl)methyl]thiomorpholine-4-carboximidamide.
What is the SMILES notation for N'-[(2-methyl-1,3-thiazol-5-yl)methyl]thiomorpholine-4-carboximidamide?
The canonical SMILES for N'-[(2-methyl-1,3-thiazol-5-yl)methyl]thiomorpholine-4-carboximidamide is Cc1ncc(C/N=C(\N)N2CCSCC2)s1.
What is the InChIKey of N'-[(2-methyl-1,3-thiazol-5-yl)methyl]thiomorpholine-4-carboximidamide?
The InChIKey is IUAPWFNZYPPXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4S2/c1-8-12-6-9(16-8)7-13-10(11)14-2-4-15-5-3-14/h6H,2-5,7H2,1H3,(H2,11,13).
What are the key properties of N'-[(2-methyl-1,3-thiazol-5-yl)methyl]thiomorpholine-4-carboximidamide?
N'-[(2-methyl-1,3-thiazol-5-yl)methyl]thiomorpholine-4-carboximidamide has a molecular weight of 256.40 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-methyl-1,3-thiazol-5-yl)methyl]thiomorpholine-4-carboximidamide is sourced from PubChem (CID 111078321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).