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

C6H10N4S — CID 15636971

IUPAC2-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine
SMILESCc1csc(CN=C(N)N)n1
InChIInChI=1S/C6H10N4S/c1-4-3-11-5(10-4)2-9-6(7)8/h3H,2H2,1H3,(H4,7,8,9)
InChIKeyMKLKQCNNSKNNOD-UHFFFAOYSA-N
MW170.24 g/mol
LogP0.22
Rot. Bonds2

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

2-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine (PubChem CID 15636971) has the molecular formula C6H10N4S and a molecular weight of 170.24 g/mol. Its IUPAC name is 2-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine.

Molecular Properties

Compound Name2-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine
PubChem CID15636971
Molecular FormulaC6H10N4S
Molecular Weight170.24 g/mol
Exact Mass170.06
IUPAC Name2-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine
SMILESCc1csc(CN=C(N)N)n1
InChIInChI=1S/C6H10N4S/c1-4-3-11-5(10-4)2-9-6(7)8/h3H,2H2,1H3,(H4,7,8,9)
InChIKeyMKLKQCNNSKNNOD-UHFFFAOYSA-N
XLogP0.22
TPSA77.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 50.22
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

2-Methylthiazole-4-carbothioamide
CID 2744365
(4-Methyl-1,3-thiazol-2-yl)methanamine
CID 4667189
2-(4-Methyl-1,3-thiazol-2-yl)ethan-1-amine
CID 3422636
Methyl((4-methyl-1,3-thiazol-2-yl)methyl)amine
CID 3928654
[(2-Ethyl-1,3-thiazol-4-yl)methyl](methyl)amine
CID 16494968
Methyl[(2-methyl-1,3-thiazol-4-yl)methyl]amine
CID 18939489
N-(4-methyl-1,3-thiazol-2-yl)guanidine
CID 2776666
N''-(4-Methyl-1,3-thiazol-2-yl)guanidine--hydrogen chloride (1/1)
CID 2776665
(4-(Trifluoromethyl)-1,3-thiazol-2-yl)methanamine
CID 3908018
1-(4-Methyl-1,3-thiazol-2-yl)ethan-1-amine
CID 4558721
3-(4-Methyl-1,3-thiazol-2-yl)propan-1-amine
CID 15034992
4-Methyl-1,3-thiazole-2-carboximidamide hydrochloride
CID 18315699

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine?
The IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine (CID 15636971) is 2-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine.
What is the SMILES notation for 2-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine?
The canonical SMILES for 2-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine is Cc1csc(CN=C(N)N)n1.
What is the InChIKey of 2-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine?
The InChIKey is MKLKQCNNSKNNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4S/c1-4-3-11-5(10-4)2-9-6(7)8/h3H,2H2,1H3,(H4,7,8,9).
What are the key properties of 2-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine?
2-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine has a molecular weight of 170.24 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine is sourced from PubChem (CID 15636971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).