N-amino-3-methoxy-N'-propan-2-ylthiophene-2-carboximidamide

C9H15N3OS — CID 81124441

IUPACN-amino-3-methoxy-N'-propan-2-ylthiophene-2-carboximidamide
SMILESCOc1ccsc1/C(=N/C(C)C)NN
InChIInChI=1S/C9H15N3OS/c1-6(2)11-9(12-10)8-7(13-3)4-5-14-8/h4-6H,10H2,1-3H3,(H,11,12)
InChIKeyVVGYVMMVCJPBKM-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.38
Rot. Bonds3

About N-amino-3-methoxy-N'-propan-2-ylthiophene-2-carboximidamide

N-amino-3-methoxy-N'-propan-2-ylthiophene-2-carboximidamide (PubChem CID 81124441) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is N-amino-3-methoxy-N'-propan-2-ylthiophene-2-carboximidamide.

Molecular Properties

Compound NameN-amino-3-methoxy-N'-propan-2-ylthiophene-2-carboximidamide
PubChem CID81124441
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC NameN-amino-3-methoxy-N'-propan-2-ylthiophene-2-carboximidamide
SMILESCOc1ccsc1/C(=N/C(C)C)NN
InChIInChI=1S/C9H15N3OS/c1-6(2)11-9(12-10)8-7(13-3)4-5-14-8/h4-6H,10H2,1-3H3,(H,11,12)
InChIKeyVVGYVMMVCJPBKM-UHFFFAOYSA-N
XLogP1.38
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-amino-3-methoxy-N'-propan-2-ylthiophene-2-carboximidamide?
The IUPAC name of N-amino-3-methoxy-N'-propan-2-ylthiophene-2-carboximidamide (CID 81124441) is N-amino-3-methoxy-N'-propan-2-ylthiophene-2-carboximidamide.
What is the SMILES notation for N-amino-3-methoxy-N'-propan-2-ylthiophene-2-carboximidamide?
The canonical SMILES for N-amino-3-methoxy-N'-propan-2-ylthiophene-2-carboximidamide is COc1ccsc1/C(=N/C(C)C)NN.
What is the InChIKey of N-amino-3-methoxy-N'-propan-2-ylthiophene-2-carboximidamide?
The InChIKey is VVGYVMMVCJPBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-6(2)11-9(12-10)8-7(13-3)4-5-14-8/h4-6H,10H2,1-3H3,(H,11,12).
What are the key properties of N-amino-3-methoxy-N'-propan-2-ylthiophene-2-carboximidamide?
N-amino-3-methoxy-N'-propan-2-ylthiophene-2-carboximidamide has a molecular weight of 213.31 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-3-methoxy-N'-propan-2-ylthiophene-2-carboximidamide is sourced from PubChem (CID 81124441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).