3-methoxy-N,N-dimethyl-1,2-thiazole-5-carboximidamide

C7H11N3OS — CID 130899428

IUPAC3-methoxy-N,N-dimethyl-1,2-thiazole-5-carboximidamide
SMILES[H]/N=C(/c1cc(OC)ns1)N(C)C
InChIInChI=1S/C7H11N3OS/c1-10(2)7(8)5-4-6(11-3)9-12-5/h4,8H,1-3H3/b8-7-
InChIKeyHZVNHTJUDDMUKH-FPLPWBNLSA-N
MW185.25 g/mol
LogP1.04
Rot. Bonds2

About 3-methoxy-N,N-dimethyl-1,2-thiazole-5-carboximidamide

3-methoxy-N,N-dimethyl-1,2-thiazole-5-carboximidamide (PubChem CID 130899428) has the molecular formula C7H11N3OS and a molecular weight of 185.25 g/mol. Its IUPAC name is 3-methoxy-N,N-dimethyl-1,2-thiazole-5-carboximidamide.

Molecular Properties

Compound Name3-methoxy-N,N-dimethyl-1,2-thiazole-5-carboximidamide
PubChem CID130899428
Molecular FormulaC7H11N3OS
Molecular Weight185.25 g/mol
Exact Mass185.06
IUPAC Name3-methoxy-N,N-dimethyl-1,2-thiazole-5-carboximidamide
SMILES[H]/N=C(/c1cc(OC)ns1)N(C)C
InChIInChI=1S/C7H11N3OS/c1-10(2)7(8)5-4-6(11-3)9-12-5/h4,8H,1-3H3/b8-7-
InChIKeyHZVNHTJUDDMUKH-FPLPWBNLSA-N
XLogP1.04
TPSA49.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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,N-dimethyl-1,2-thiazole-5-carboximidamide?
The IUPAC name of 3-methoxy-N,N-dimethyl-1,2-thiazole-5-carboximidamide (CID 130899428) is 3-methoxy-N,N-dimethyl-1,2-thiazole-5-carboximidamide.
What is the SMILES notation for 3-methoxy-N,N-dimethyl-1,2-thiazole-5-carboximidamide?
The canonical SMILES for 3-methoxy-N,N-dimethyl-1,2-thiazole-5-carboximidamide is [H]/N=C(/c1cc(OC)ns1)N(C)C.
What is the InChIKey of 3-methoxy-N,N-dimethyl-1,2-thiazole-5-carboximidamide?
The InChIKey is HZVNHTJUDDMUKH-FPLPWBNLSA-N. The full InChI is InChI=1S/C7H11N3OS/c1-10(2)7(8)5-4-6(11-3)9-12-5/h4,8H,1-3H3/b8-7-.
What are the key properties of 3-methoxy-N,N-dimethyl-1,2-thiazole-5-carboximidamide?
3-methoxy-N,N-dimethyl-1,2-thiazole-5-carboximidamide has a molecular weight of 185.25 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N,N-dimethyl-1,2-thiazole-5-carboximidamide is sourced from PubChem (CID 130899428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).