N'-[(2-morpholin-4-yl-3-pyridinyl)methyl]-N-propan-2-ylthiophene-2-carboximidamide

C18H24N4OS — CID 47085338

IUPACN'-[(2-morpholin-4-yl-3-pyridinyl)methyl]-N-propan-2-ylthiophene-2-carboximidamide
SMILESCC(C)N/C(=N\Cc1cccnc1N1CCOCC1)c1cccs1
InChIInChI=1S/C18H24N4OS/c1-14(2)21-17(16-6-4-12-24-16)20-13-15-5-3-7-19-18(15)22-8-10-23-11-9-22/h3-7,12,14H,8-11,13H2,1-2H3,(H,20,21)
InChIKeyCGRJVDMKIUEVBN-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.92
Rot. Bonds5

About N'-[(2-morpholin-4-yl-3-pyridinyl)methyl]-N-propan-2-ylthiophene-2-carboximidamide

N'-[(2-morpholin-4-yl-3-pyridinyl)methyl]-N-propan-2-ylthiophene-2-carboximidamide (PubChem CID 47085338) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is N'-[(2-morpholin-4-yl-3-pyridinyl)methyl]-N-propan-2-ylthiophene-2-carboximidamide.

Molecular Properties

Compound NameN'-[(2-morpholin-4-yl-3-pyridinyl)methyl]-N-propan-2-ylthiophene-2-carboximidamide
PubChem CID47085338
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC NameN'-[(2-morpholin-4-yl-3-pyridinyl)methyl]-N-propan-2-ylthiophene-2-carboximidamide
SMILESCC(C)N/C(=N\Cc1cccnc1N1CCOCC1)c1cccs1
InChIInChI=1S/C18H24N4OS/c1-14(2)21-17(16-6-4-12-24-16)20-13-15-5-3-7-19-18(15)22-8-10-23-11-9-22/h3-7,12,14H,8-11,13H2,1-2H3,(H,20,21)
InChIKeyCGRJVDMKIUEVBN-UHFFFAOYSA-N
XLogP2.92
TPSA49.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(2-morpholin-4-yl-3-pyridinyl)methyl]-N-propan-2-ylthiophene-2-carboximidamide?
The IUPAC name of N'-[(2-morpholin-4-yl-3-pyridinyl)methyl]-N-propan-2-ylthiophene-2-carboximidamide (CID 47085338) is N'-[(2-morpholin-4-yl-3-pyridinyl)methyl]-N-propan-2-ylthiophene-2-carboximidamide.
What is the SMILES notation for N'-[(2-morpholin-4-yl-3-pyridinyl)methyl]-N-propan-2-ylthiophene-2-carboximidamide?
The canonical SMILES for N'-[(2-morpholin-4-yl-3-pyridinyl)methyl]-N-propan-2-ylthiophene-2-carboximidamide is CC(C)N/C(=N\Cc1cccnc1N1CCOCC1)c1cccs1.
What is the InChIKey of N'-[(2-morpholin-4-yl-3-pyridinyl)methyl]-N-propan-2-ylthiophene-2-carboximidamide?
The InChIKey is CGRJVDMKIUEVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-14(2)21-17(16-6-4-12-24-16)20-13-15-5-3-7-19-18(15)22-8-10-23-11-9-22/h3-7,12,14H,8-11,13H2,1-2H3,(H,20,21).
What are the key properties of N'-[(2-morpholin-4-yl-3-pyridinyl)methyl]-N-propan-2-ylthiophene-2-carboximidamide?
N'-[(2-morpholin-4-yl-3-pyridinyl)methyl]-N-propan-2-ylthiophene-2-carboximidamide has a molecular weight of 344.48 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-morpholin-4-yl-3-pyridinyl)methyl]-N-propan-2-ylthiophene-2-carboximidamide is sourced from PubChem (CID 47085338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).