N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-methylcyclobutan-1-amine

C11H18N2OS — CID 115671468

IUPACN-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-methylcyclobutan-1-amine
SMILESCOCc1nc(CNC2CC(C)C2)cs1
InChIInChI=1S/C11H18N2OS/c1-8-3-9(4-8)12-5-10-7-15-11(13-10)6-14-2/h7-9,12H,3-6H2,1-2H3
InChIKeyGMSHQPUPEPSXBC-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.18
Rot. Bonds5

About N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-methylcyclobutan-1-amine

N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-methylcyclobutan-1-amine (PubChem CID 115671468) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-methylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-methylcyclobutan-1-amine
PubChem CID115671468
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC NameN-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-methylcyclobutan-1-amine
SMILESCOCc1nc(CNC2CC(C)C2)cs1
InChIInChI=1S/C11H18N2OS/c1-8-3-9(4-8)12-5-10-7-15-11(13-10)6-14-2/h7-9,12H,3-6H2,1-2H3
InChIKeyGMSHQPUPEPSXBC-UHFFFAOYSA-N
XLogP2.18
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-methylcyclobutan-1-amine?
The IUPAC name of N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-methylcyclobutan-1-amine (CID 115671468) is N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-methylcyclobutan-1-amine.
What is the SMILES notation for N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-methylcyclobutan-1-amine?
The canonical SMILES for N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-methylcyclobutan-1-amine is COCc1nc(CNC2CC(C)C2)cs1.
What is the InChIKey of N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-methylcyclobutan-1-amine?
The InChIKey is GMSHQPUPEPSXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-8-3-9(4-8)12-5-10-7-15-11(13-10)6-14-2/h7-9,12H,3-6H2,1-2H3.
What are the key properties of N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-methylcyclobutan-1-amine?
N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-methylcyclobutan-1-amine has a molecular weight of 226.34 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-methylcyclobutan-1-amine is sourced from PubChem (CID 115671468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).