N,2,2-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanimidamide

C11H19N3S — CID 63177175

IUPACN,2,2-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanimidamide
SMILES[H]/N=C(\N(C)Cc1csc(C)n1)C(C)(C)C
InChIInChI=1S/C11H19N3S/c1-8-13-9(7-15-8)6-14(5)10(12)11(2,3)4/h7,12H,6H2,1-5H3/b12-10-
InChIKeyWRSNUPAAMMAHAK-BENRWUELSA-N
MW225.36 g/mol
LogP2.91
Rot. Bonds2

About N,2,2-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanimidamide

N,2,2-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanimidamide (PubChem CID 63177175) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is N,2,2-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanimidamide.

Molecular Properties

Compound NameN,2,2-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanimidamide
PubChem CID63177175
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC NameN,2,2-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanimidamide
SMILES[H]/N=C(\N(C)Cc1csc(C)n1)C(C)(C)C
InChIInChI=1S/C11H19N3S/c1-8-13-9(7-15-8)6-14(5)10(12)11(2,3)4/h7,12H,6H2,1-5H3/b12-10-
InChIKeyWRSNUPAAMMAHAK-BENRWUELSA-N
XLogP2.91
TPSA39.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.91
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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Related Compounds

1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine
CID 42609218
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentanecarboximidamide
CID 63177176
N,2,2-trimethyl-N-(1,3-thiazol-4-ylmethyl)propanimidamide
CID 63176433
2-hydroxy-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 47442970
2-carbamothioyl-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide
CID 113270600
1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]hydrazine
CID 89029484
5-chloro-2-(ethylamino)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 62179422
2-chloro-4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzenecarboximidamide
CID 62948030
4-(dimethylamino)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 47451144
N-[2-[[N,N'-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide
CID 109420958
5-bromo-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 65309481
2-(diethylamino)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 86855478

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanimidamide?
The IUPAC name of N,2,2-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanimidamide (CID 63177175) is N,2,2-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanimidamide.
What is the SMILES notation for N,2,2-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanimidamide?
The canonical SMILES for N,2,2-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanimidamide is [H]/N=C(\N(C)Cc1csc(C)n1)C(C)(C)C.
What is the InChIKey of N,2,2-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanimidamide?
The InChIKey is WRSNUPAAMMAHAK-BENRWUELSA-N. The full InChI is InChI=1S/C11H19N3S/c1-8-13-9(7-15-8)6-14(5)10(12)11(2,3)4/h7,12H,6H2,1-5H3/b12-10-.
What are the key properties of N,2,2-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanimidamide?
N,2,2-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanimidamide has a molecular weight of 225.36 g/mol, XLogP of 2.91, 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-[(2-methyl-1,3-thiazol-4-yl)methyl]propanimidamide is sourced from PubChem (CID 63177175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).