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

C11H18N4OS — CID 47083301

IUPAC2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(oxolan-2-ylmethyl)guanidine
SMILESCc1nc(C/N=C(\N)NCC2CCCO2)cs1
InChIInChI=1S/C11H18N4OS/c1-8-15-9(7-17-8)5-13-11(12)14-6-10-3-2-4-16-10/h7,10H,2-6H2,1H3,(H3,12,13,14)
InChIKeyULHWFOUDXPGNHO-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.03
Rot. Bonds4

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

2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(oxolan-2-ylmethyl)guanidine (PubChem CID 47083301) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(oxolan-2-ylmethyl)guanidine.

Molecular Properties

Compound Name2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(oxolan-2-ylmethyl)guanidine
PubChem CID47083301
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(oxolan-2-ylmethyl)guanidine
SMILESCc1nc(C/N=C(\N)NCC2CCCO2)cs1
InChIInChI=1S/C11H18N4OS/c1-8-15-9(7-17-8)5-13-11(12)14-6-10-3-2-4-16-10/h7,10H,2-6H2,1H3,(H3,12,13,14)
InChIKeyULHWFOUDXPGNHO-UHFFFAOYSA-N
XLogP1.03
TPSA72.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.03
H-Bond Donors ≤ 52
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

1-(2-(Oxolan-2-yl)-1,3-thiazol-4-yl)methanamine dihydrochloride
CID 165994645
N'-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]azepane-1-carboximidamide
CID 129432354
4-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine
CID 43080141
4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine
CID 29273849
4-methyl-N-{[(2R)-oxolan-2-yl]methyl}-1,3-thiazol-2-amine
CID 29273850
1-[2-(Oxolan-2-yl)-1,3-thiazol-4-yl]methanamine
CID 64982766
3-(3-Fluoropropyl)-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,2-dimethylguanidine
CID 109454488
3-Ethyl-2-(3-fluoropropyl)-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methylguanidine
CID 109455802
2-Methyl-1-[(2-methyloxolan-2-yl)methyl]-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine;hydroiodide
CID 109593533
2-Methyl-1-[(2-methyloxolan-2-yl)methyl]-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine
CID 109593534
1-Ethyl-3-[(2-methyloxolan-2-yl)methyl]-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine;hydroiodide
CID 109597003
1-Ethyl-3-[(2-methyloxolan-2-yl)methyl]-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine
CID 109597004

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(oxolan-2-ylmethyl)guanidine?
The IUPAC name of 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(oxolan-2-ylmethyl)guanidine (CID 47083301) is 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(oxolan-2-ylmethyl)guanidine.
What is the SMILES notation for 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(oxolan-2-ylmethyl)guanidine?
The canonical SMILES for 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(oxolan-2-ylmethyl)guanidine is Cc1nc(C/N=C(\N)NCC2CCCO2)cs1.
What is the InChIKey of 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(oxolan-2-ylmethyl)guanidine?
The InChIKey is ULHWFOUDXPGNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-8-15-9(7-17-8)5-13-11(12)14-6-10-3-2-4-16-10/h7,10H,2-6H2,1H3,(H3,12,13,14).
What are the key properties of 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(oxolan-2-ylmethyl)guanidine?
2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(oxolan-2-ylmethyl)guanidine has a molecular weight of 254.36 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(oxolan-2-ylmethyl)guanidine is sourced from PubChem (CID 47083301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).