N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-propoxyethanamine

C10H18N2OS — CID 106451759

IUPACN-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-propoxyethanamine
SMILESCCCOCCNCc1cnc(C)s1
InChIInChI=1S/C10H18N2OS/c1-3-5-13-6-4-11-7-10-8-12-9(2)14-10/h8,11H,3-7H2,1-2H3
InChIKeyOIZKUQZWIHCFQN-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.97
Rot. Bonds7

About N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-propoxyethanamine

N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-propoxyethanamine (PubChem CID 106451759) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-propoxyethanamine.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-propoxyethanamine
PubChem CID106451759
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-propoxyethanamine
SMILESCCCOCCNCc1cnc(C)s1
InChIInChI=1S/C10H18N2OS/c1-3-5-13-6-4-11-7-10-8-12-9(2)14-10/h8,11H,3-7H2,1-2H3
InChIKeyOIZKUQZWIHCFQN-UHFFFAOYSA-N
XLogP1.97
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.97
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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Related Compounds

N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-propoxyethanamine
CID 106372348
2-tert-butylsulfanyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 115614481
N'-[(2-methyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine
CID 60937078
3-methyl-1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butane-1,3-diamine
CID 64677698
ethyl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate
CID 64579885
N-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]ethanamine
CID 63020828
3-methylsulfonyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 61019602
2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetonitrile
CID 61280637
N-[(2-methyl-1,3-thiazol-5-yl)methyl]hex-5-yn-1-amine
CID 115694172
3-cyclopropyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 115639558
ethyl 2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]prop-2-enoate
CID 103243299
N-[[4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]propan-1-amine
CID 63020291

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-propoxyethanamine?
The IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-propoxyethanamine (CID 106451759) is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-propoxyethanamine.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-propoxyethanamine?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-propoxyethanamine is CCCOCCNCc1cnc(C)s1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-propoxyethanamine?
The InChIKey is OIZKUQZWIHCFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-3-5-13-6-4-11-7-10-8-12-9(2)14-10/h8,11H,3-7H2,1-2H3.
What are the key properties of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-propoxyethanamine?
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-propoxyethanamine has a molecular weight of 214.33 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-propoxyethanamine is sourced from PubChem (CID 106451759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).