N'-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-N,N-dimethylmethanimidamide

C9H13N3OS — CID 5057684

IUPACN'-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-N,N-dimethylmethanimidamide
SMILESCC(=O)c1sc(N=CN(C)C)nc1C
InChIInChI=1S/C9H13N3OS/c1-6-8(7(2)13)14-9(11-6)10-5-12(3)4/h5H,1-4H3
InChIKeyJQJLLTQKXZUFCI-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.88
Rot. Bonds3

About N'-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-N,N-dimethylmethanimidamide

N'-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-N,N-dimethylmethanimidamide (PubChem CID 5057684) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is N'-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-N,N-dimethylmethanimidamide
PubChem CID5057684
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC NameN'-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-N,N-dimethylmethanimidamide
SMILESCC(=O)c1sc(N=CN(C)C)nc1C
InChIInChI=1S/C9H13N3OS/c1-6-8(7(2)13)14-9(11-6)10-5-12(3)4/h5H,1-4H3
InChIKeyJQJLLTQKXZUFCI-UHFFFAOYSA-N
XLogP1.88
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.88
H-Bond Donors ≤ 50
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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Related Compounds

5-Acetyl-2-amino-4-methylthiazole
CID 720882
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)butanamide
CID 734076
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CID 2440370
N-(5-Acetyl-4-methyl-thiazol-2-yl)-2,2-dimethyl-propionamide
CID 733883
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)acetamide
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CID 734580
1-(4-Methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)ethanone
CID 2740552
1-(2-Amino-4-methyl-1,3-thiazol-5-yl)ethan-1-one hydrochloride
CID 12236850
Thiazolyl derivative, 1
CID 57340123
1-(2-Amino-4-methyl-1,3-thiazol-5-yl)-2,2,2-trifluoroethan-1-one
CID 137698669
1-(2-Amino-4-methyl-1,3-thiazol-3-ium-5-yl)ethanone chloride
CID 135889287
1-[4-Tert-butyl-2-(dimethylamino)-1,3-thiazol-5-yl]ethanone
CID 82439628

Frequently Asked Questions

What is the IUPAC name of N'-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-N,N-dimethylmethanimidamide (CID 5057684) is N'-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-N,N-dimethylmethanimidamide is CC(=O)c1sc(N=CN(C)C)nc1C.
What is the InChIKey of N'-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-N,N-dimethylmethanimidamide?
The InChIKey is JQJLLTQKXZUFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c1-6-8(7(2)13)14-9(11-6)10-5-12(3)4/h5H,1-4H3.
What are the key properties of N'-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-N,N-dimethylmethanimidamide?
N'-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-N,N-dimethylmethanimidamide has a molecular weight of 211.29 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 5057684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).