N-(2-methoxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-amine

C10H16N2OS — CID 79340971

IUPACN-(2-methoxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-amine
SMILESCOCCNCC=Cc1csc(C)n1
InChIInChI=1S/C10H16N2OS/c1-9-12-10(8-14-9)4-3-5-11-6-7-13-2/h3-4,8,11H,5-7H2,1-2H3
InChIKeyWPOSPDABPAOVQC-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.70
Rot. Bonds6

About N-(2-methoxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-amine

N-(2-methoxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-amine (PubChem CID 79340971) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-amine
PubChem CID79340971
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC NameN-(2-methoxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-amine
SMILESCOCCNCC=Cc1csc(C)n1
InChIInChI=1S/C10H16N2OS/c1-9-12-10(8-14-9)4-3-5-11-6-7-13-2/h3-4,8,11H,5-7H2,1-2H3
InChIKeyWPOSPDABPAOVQC-UHFFFAOYSA-N
XLogP1.70
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.70
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

4-(3-bromoprop-1-enyl)-2-methyl-1,3-thiazole
CID 79322364
(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-ol
CID 22244458
(E)-N-(2-methoxyethoxy)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 79673967
methyl 3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate
CID 57148702
3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2-methoxyethyl)prop-2-en-1-amine
CID 79340771
(E)-N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 55701110
4-(2-chloroethenyl)-2-methyl-1,3-thiazole
CID 141028514
N-(2-methoxyethyl)-3-(3-methoxyphenyl)prop-2-en-1-amine
CID 79340458
3-(2,6-dichlorophenyl)-N-(2-methoxyethyl)prop-2-en-1-amine
CID 79340039
2-methoxy-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 66401302
3-(2-bromo-1,3-thiazol-4-yl)-N-methylprop-2-en-1-amine
CID 169474840
N-(2-methoxyethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-amine
CID 79341177

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-amine?
The IUPAC name of N-(2-methoxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-amine (CID 79340971) is N-(2-methoxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-amine is COCCNCC=Cc1csc(C)n1.
What is the InChIKey of N-(2-methoxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-amine?
The InChIKey is WPOSPDABPAOVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-9-12-10(8-14-9)4-3-5-11-6-7-13-2/h3-4,8,11H,5-7H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-amine?
N-(2-methoxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-amine has a molecular weight of 212.32 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-amine is sourced from PubChem (CID 79340971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).