2,2-dimethyl-N'-(1,3-thiazol-2-ylmethyl)propanimidamide

C9H15N3S — CID 63177184

IUPAC2,2-dimethyl-N'-(1,3-thiazol-2-ylmethyl)propanimidamide
SMILESCC(C)(C)/C(N)=N/Cc1nccs1
InChIInChI=1S/C9H15N3S/c1-9(2,3)8(10)12-6-7-11-4-5-13-7/h4-5H,6H2,1-3H3,(H2,10,12)
InChIKeyQUNIPCHWORHTNJ-UHFFFAOYSA-N
MW197.31 g/mol
LogP2.05
Rot. Bonds2

About 2,2-dimethyl-N'-(1,3-thiazol-2-ylmethyl)propanimidamide

2,2-dimethyl-N'-(1,3-thiazol-2-ylmethyl)propanimidamide (PubChem CID 63177184) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 2,2-dimethyl-N'-(1,3-thiazol-2-ylmethyl)propanimidamide.

Molecular Properties

Compound Name2,2-dimethyl-N'-(1,3-thiazol-2-ylmethyl)propanimidamide
PubChem CID63177184
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name2,2-dimethyl-N'-(1,3-thiazol-2-ylmethyl)propanimidamide
SMILESCC(C)(C)/C(N)=N/Cc1nccs1
InChIInChI=1S/C9H15N3S/c1-9(2,3)8(10)12-6-7-11-4-5-13-7/h4-5H,6H2,1-3H3,(H2,10,12)
InChIKeyQUNIPCHWORHTNJ-UHFFFAOYSA-N
XLogP2.05
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2,2-dimethyl-N'-(1,3-thiazol-2-ylmethyl)propanimidamide?
The IUPAC name of 2,2-dimethyl-N'-(1,3-thiazol-2-ylmethyl)propanimidamide (CID 63177184) is 2,2-dimethyl-N'-(1,3-thiazol-2-ylmethyl)propanimidamide.
What is the SMILES notation for 2,2-dimethyl-N'-(1,3-thiazol-2-ylmethyl)propanimidamide?
The canonical SMILES for 2,2-dimethyl-N'-(1,3-thiazol-2-ylmethyl)propanimidamide is CC(C)(C)/C(N)=N/Cc1nccs1.
What is the InChIKey of 2,2-dimethyl-N'-(1,3-thiazol-2-ylmethyl)propanimidamide?
The InChIKey is QUNIPCHWORHTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-9(2,3)8(10)12-6-7-11-4-5-13-7/h4-5H,6H2,1-3H3,(H2,10,12).
What are the key properties of 2,2-dimethyl-N'-(1,3-thiazol-2-ylmethyl)propanimidamide?
2,2-dimethyl-N'-(1,3-thiazol-2-ylmethyl)propanimidamide has a molecular weight of 197.31 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N'-(1,3-thiazol-2-ylmethyl)propanimidamide is sourced from PubChem (CID 63177184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).