1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine

C7H12N4S — CID 42609218

IUPAC1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine
SMILES[H]/N=C(\N)N(C)Cc1csc(C)n1
InChIInChI=1S/C7H12N4S/c1-5-10-6(4-12-5)3-11(2)7(8)9/h4H,3H2,1-2H3,(H3,8,9)
InChIKeyNWIGOYDMHXZLJV-UHFFFAOYSA-N
MW184.27 g/mol
LogP0.78
Rot. Bonds2

About 1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine

1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine (PubChem CID 42609218) has the molecular formula C7H12N4S and a molecular weight of 184.27 g/mol. Its IUPAC name is 1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine.

Molecular Properties

Compound Name1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine
PubChem CID42609218
Molecular FormulaC7H12N4S
Molecular Weight184.27 g/mol
Exact Mass184.08
IUPAC Name1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine
SMILES[H]/N=C(\N)N(C)Cc1csc(C)n1
InChIInChI=1S/C7H12N4S/c1-5-10-6(4-12-5)3-11(2)7(8)9/h4H,3H2,1-2H3,(H3,8,9)
InChIKeyNWIGOYDMHXZLJV-UHFFFAOYSA-N
XLogP0.78
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.27
LogP ≤ 50.78
H-Bond Donors ≤ 52
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

N,2,2-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanimidamide
CID 63177175
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentanecarboximidamide
CID 63177176
5-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80614966
1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]hydrazine
CID 89029484
3-amino-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide;dihydrochloride
CID 120502763
2-carbamothioyl-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide
CID 113270600
2-(N'-hydroxycarbamimidoyl)-N,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide
CID 76923800
2-(diethylamino)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 86855478
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,5-thiadiazole-3-carboxamide
CID 86852399
2-chloro-4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzenecarboximidamide
CID 62948030
(2R)-4-amino-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxobutanoic acid
CID 107827210
1-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119841638

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine?
The IUPAC name of 1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine (CID 42609218) is 1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine.
What is the SMILES notation for 1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine?
The canonical SMILES for 1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine is [H]/N=C(\N)N(C)Cc1csc(C)n1.
What is the InChIKey of 1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine?
The InChIKey is NWIGOYDMHXZLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4S/c1-5-10-6(4-12-5)3-11(2)7(8)9/h4H,3H2,1-2H3,(H3,8,9).
What are the key properties of 1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine?
1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine has a molecular weight of 184.27 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine is sourced from PubChem (CID 42609218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).