N,2,2-trimethyl-N-(1,3-thiazol-4-ylmethyl)propanimidamide

C10H17N3S — CID 63176433

IUPACN,2,2-trimethyl-N-(1,3-thiazol-4-ylmethyl)propanimidamide
SMILES[H]/N=C(\N(C)Cc1cscn1)C(C)(C)C
InChIInChI=1S/C10H17N3S/c1-10(2,3)9(11)13(4)5-8-6-14-7-12-8/h6-7,11H,5H2,1-4H3/b11-9-
InChIKeyWFIJVQNKSACICV-LUAWRHEFSA-N
MW211.33 g/mol
LogP2.60
Rot. Bonds2

About N,2,2-trimethyl-N-(1,3-thiazol-4-ylmethyl)propanimidamide

N,2,2-trimethyl-N-(1,3-thiazol-4-ylmethyl)propanimidamide (PubChem CID 63176433) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is N,2,2-trimethyl-N-(1,3-thiazol-4-ylmethyl)propanimidamide.

Molecular Properties

Compound NameN,2,2-trimethyl-N-(1,3-thiazol-4-ylmethyl)propanimidamide
PubChem CID63176433
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC NameN,2,2-trimethyl-N-(1,3-thiazol-4-ylmethyl)propanimidamide
SMILES[H]/N=C(\N(C)Cc1cscn1)C(C)(C)C
InChIInChI=1S/C10H17N3S/c1-10(2,3)9(11)13(4)5-8-6-14-7-12-8/h6-7,11H,5H2,1-4H3/b11-9-
InChIKeyWFIJVQNKSACICV-LUAWRHEFSA-N
XLogP2.60
TPSA39.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.60
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'}

Analyze N,2,2-trimethyl-N-(1,3-thiazol-4-ylmethyl)propanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-N-(1,3-thiazol-4-ylmethyl)propanimidamide?
The IUPAC name of N,2,2-trimethyl-N-(1,3-thiazol-4-ylmethyl)propanimidamide (CID 63176433) is N,2,2-trimethyl-N-(1,3-thiazol-4-ylmethyl)propanimidamide.
What is the SMILES notation for N,2,2-trimethyl-N-(1,3-thiazol-4-ylmethyl)propanimidamide?
The canonical SMILES for N,2,2-trimethyl-N-(1,3-thiazol-4-ylmethyl)propanimidamide is [H]/N=C(\N(C)Cc1cscn1)C(C)(C)C.
What is the InChIKey of N,2,2-trimethyl-N-(1,3-thiazol-4-ylmethyl)propanimidamide?
The InChIKey is WFIJVQNKSACICV-LUAWRHEFSA-N. The full InChI is InChI=1S/C10H17N3S/c1-10(2,3)9(11)13(4)5-8-6-14-7-12-8/h6-7,11H,5H2,1-4H3/b11-9-.
What are the key properties of N,2,2-trimethyl-N-(1,3-thiazol-4-ylmethyl)propanimidamide?
N,2,2-trimethyl-N-(1,3-thiazol-4-ylmethyl)propanimidamide has a molecular weight of 211.33 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-N-(1,3-thiazol-4-ylmethyl)propanimidamide is sourced from PubChem (CID 63176433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).