N-[(2,4-dipropyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine

C13H24N2OS — CID 82431543

IUPACN-[(2,4-dipropyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
SMILESCCCc1nc(CCC)c(CNCCOC)s1
InChIInChI=1S/C13H24N2OS/c1-4-6-11-12(10-14-8-9-16-3)17-13(15-11)7-5-2/h14H,4-10H2,1-3H3
InChIKeyWYCFXQJJCBAFLB-UHFFFAOYSA-N
MW256.41 g/mol
LogP2.78
Rot. Bonds9

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

N-[(2,4-dipropyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine (PubChem CID 82431543) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is N-[(2,4-dipropyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(2,4-dipropyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
PubChem CID82431543
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC NameN-[(2,4-dipropyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
SMILESCCCc1nc(CCC)c(CNCCOC)s1
InChIInChI=1S/C13H24N2OS/c1-4-6-11-12(10-14-8-9-16-3)17-13(15-11)7-5-2/h14H,4-10H2,1-3H3
InChIKeyWYCFXQJJCBAFLB-UHFFFAOYSA-N
XLogP2.78
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 52.78
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-[(2-ethyl-4-propyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
CID 82431279
N-[(4-ethyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
CID 82428482
N-[[2-(methoxymethyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82432837
N-[(2-cyclopropyl-4-propyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
CID 82432257
N-[[4-ethyl-2-(2-methoxyethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82428338
N-butan-2-yl-5-[(2-methoxyethylamino)methyl]-N-methyl-4-propyl-1,3-thiazol-2-amine
CID 62767611
N-[[2-(3-methoxypropyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114368915
5-[(2-methoxyethylamino)methyl]-N-propan-2-yl-N,4-dipropyl-1,3-thiazol-2-amine
CID 62766747
N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 103150617
N-(2-ethoxyethyl)-5-[(2-methoxyethylamino)methyl]-N-methyl-4-propyl-1,3-thiazol-2-amine
CID 81064688
N-[[2-[2-(diethylamino)ethyl]-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82433104
N-[[2-(ethylsulfanylmethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine
CID 82440660

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dipropyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(2,4-dipropyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine (CID 82431543) is N-[(2,4-dipropyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(2,4-dipropyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(2,4-dipropyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine is CCCc1nc(CCC)c(CNCCOC)s1.
What is the InChIKey of N-[(2,4-dipropyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine?
The InChIKey is WYCFXQJJCBAFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-4-6-11-12(10-14-8-9-16-3)17-13(15-11)7-5-2/h14H,4-10H2,1-3H3.
What are the key properties of N-[(2,4-dipropyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine?
N-[(2,4-dipropyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine has a molecular weight of 256.41 g/mol, XLogP of 2.78, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dipropyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 82431543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).