N-methyl-1-[4-methyl-2-(propoxymethyl)-1,3-thiazol-5-yl]methanamine

C10H18N2OS — CID 62403199

IUPACN-methyl-1-[4-methyl-2-(propoxymethyl)-1,3-thiazol-5-yl]methanamine
SMILESCCCOCc1nc(C)c(CNC)s1
InChIInChI=1S/C10H18N2OS/c1-4-5-13-7-10-12-8(2)9(14-10)6-11-3/h11H,4-7H2,1-3H3
InChIKeyHBGLQQFOSDBXJY-UHFFFAOYSA-N
MW214.33 g/mol
LogP2.10
Rot. Bonds6

About N-methyl-1-[4-methyl-2-(propoxymethyl)-1,3-thiazol-5-yl]methanamine

N-methyl-1-[4-methyl-2-(propoxymethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 62403199) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is N-methyl-1-[4-methyl-2-(propoxymethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-methyl-2-(propoxymethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID62403199
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC NameN-methyl-1-[4-methyl-2-(propoxymethyl)-1,3-thiazol-5-yl]methanamine
SMILESCCCOCc1nc(C)c(CNC)s1
InChIInChI=1S/C10H18N2OS/c1-4-5-13-7-10-12-8(2)9(14-10)6-11-3/h11H,4-7H2,1-3H3
InChIKeyHBGLQQFOSDBXJY-UHFFFAOYSA-N
XLogP2.10
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-methyl-2-(propoxymethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of N-methyl-1-[4-methyl-2-(propoxymethyl)-1,3-thiazol-5-yl]methanamine (CID 62403199) is N-methyl-1-[4-methyl-2-(propoxymethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-methyl-2-(propoxymethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-methyl-2-(propoxymethyl)-1,3-thiazol-5-yl]methanamine is CCCOCc1nc(C)c(CNC)s1.
What is the InChIKey of N-methyl-1-[4-methyl-2-(propoxymethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is HBGLQQFOSDBXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-4-5-13-7-10-12-8(2)9(14-10)6-11-3/h11H,4-7H2,1-3H3.
What are the key properties of N-methyl-1-[4-methyl-2-(propoxymethyl)-1,3-thiazol-5-yl]methanamine?
N-methyl-1-[4-methyl-2-(propoxymethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 214.33 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-methyl-2-(propoxymethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 62403199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).