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

C11H18N4OS — CID 52501421

IUPAC2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]guanidine
SMILESCc1nc(C/N=C(\N)NC[C@@H]2CCCO2)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)/t10-/m0/s1
InChIKeyULHWFOUDXPGNHO-JTQLQIEISA-N
MW254.36 g/mol
LogP1.03
Rot. Bonds4

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

2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]guanidine (PubChem CID 52501421) 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-[[(2S)-oxolan-2-yl]methyl]guanidine.

Molecular Properties

Compound Name2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]guanidine
PubChem CID52501421
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]guanidine
SMILESCc1nc(C/N=C(\N)NC[C@@H]2CCCO2)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)/t10-/m0/s1
InChIKeyULHWFOUDXPGNHO-JTQLQIEISA-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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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]guanidine?
The IUPAC name of 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]guanidine (CID 52501421) is 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]guanidine.
What is the SMILES notation for 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]guanidine?
The canonical SMILES for 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]guanidine is Cc1nc(C/N=C(\N)NC[C@@H]2CCCO2)cs1.
What is the InChIKey of 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]guanidine?
The InChIKey is ULHWFOUDXPGNHO-JTQLQIEISA-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)/t10-/m0/s1.
What are the key properties of 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]guanidine?
2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]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-[[(2S)-oxolan-2-yl]methyl]guanidine is sourced from PubChem (CID 52501421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).