3-methoxy-N',2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)benzenecarboximidamide;propan-1-amine

C17H26N4OS — CID 155728583

IUPAC3-methoxy-N',2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)benzenecarboximidamide;propan-1-amine
SMILESC/N=C(\N)c1cc(-c2nc(C)cs2)cc(OC)c1C.CCCN
InChIInChI=1S/C14H17N3OS.C3H9N/c1-8-7-19-14(17-8)10-5-11(13(15)16-3)9(2)12(6-10)18-4;1-2-3-4/h5-7H,1-4H3,(H2,15,16);2-4H2,1H3
InChIKeyLDYROVZPWQZIIZ-UHFFFAOYSA-N
MW334.49 g/mol
LogP3.13
Rot. Bonds4

About 3-methoxy-N',2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)benzenecarboximidamide;propan-1-amine

3-methoxy-N',2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)benzenecarboximidamide;propan-1-amine (PubChem CID 155728583) has the molecular formula C17H26N4OS and a molecular weight of 334.49 g/mol. Its IUPAC name is 3-methoxy-N',2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)benzenecarboximidamide;propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N',2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)benzenecarboximidamide;propan-1-amine
PubChem CID155728583
Molecular FormulaC17H26N4OS
Molecular Weight334.49 g/mol
Exact Mass334.18
IUPAC Name3-methoxy-N',2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)benzenecarboximidamide;propan-1-amine
SMILESC/N=C(\N)c1cc(-c2nc(C)cs2)cc(OC)c1C.CCCN
InChIInChI=1S/C14H17N3OS.C3H9N/c1-8-7-19-14(17-8)10-5-11(13(15)16-3)9(2)12(6-10)18-4;1-2-3-4/h5-7H,1-4H3,(H2,15,16);2-4H2,1H3
InChIKeyLDYROVZPWQZIIZ-UHFFFAOYSA-N
XLogP3.13
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 53.13
H-Bond Donors ≤ 52
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 3-methoxy-N',2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)benzenecarboximidamide;propan-1-amine?
The IUPAC name of 3-methoxy-N',2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)benzenecarboximidamide;propan-1-amine (CID 155728583) is 3-methoxy-N',2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)benzenecarboximidamide;propan-1-amine.
What is the SMILES notation for 3-methoxy-N',2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)benzenecarboximidamide;propan-1-amine?
The canonical SMILES for 3-methoxy-N',2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)benzenecarboximidamide;propan-1-amine is C/N=C(\N)c1cc(-c2nc(C)cs2)cc(OC)c1C.CCCN.
What is the InChIKey of 3-methoxy-N',2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)benzenecarboximidamide;propan-1-amine?
The InChIKey is LDYROVZPWQZIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS.C3H9N/c1-8-7-19-14(17-8)10-5-11(13(15)16-3)9(2)12(6-10)18-4;1-2-3-4/h5-7H,1-4H3,(H2,15,16);2-4H2,1H3.
What are the key properties of 3-methoxy-N',2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)benzenecarboximidamide;propan-1-amine?
3-methoxy-N',2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)benzenecarboximidamide;propan-1-amine has a molecular weight of 334.49 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N',2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)benzenecarboximidamide;propan-1-amine is sourced from PubChem (CID 155728583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).