3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-5-methylthiolan-3-amine

C14H24N2OS2 — CID 79950737

IUPAC3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-5-methylthiolan-3-amine
SMILESCCc1nc(C2(NCCOC)CSC(C)C2)sc1C
InChIInChI=1S/C14H24N2OS2/c1-5-12-11(3)19-13(16-12)14(15-6-7-17-4)8-10(2)18-9-14/h10,15H,5-9H2,1-4H3
InChIKeyYHICLTHPUXRVQF-UHFFFAOYSA-N
MW300.49 g/mol
LogP2.97
Rot. Bonds6

About 3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-5-methylthiolan-3-amine

3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-5-methylthiolan-3-amine (PubChem CID 79950737) has the molecular formula C14H24N2OS2 and a molecular weight of 300.49 g/mol. Its IUPAC name is 3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-5-methylthiolan-3-amine.

Molecular Properties

Compound Name3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-5-methylthiolan-3-amine
PubChem CID79950737
Molecular FormulaC14H24N2OS2
Molecular Weight300.49 g/mol
Exact Mass300.13
IUPAC Name3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-5-methylthiolan-3-amine
SMILESCCc1nc(C2(NCCOC)CSC(C)C2)sc1C
InChIInChI=1S/C14H24N2OS2/c1-5-12-11(3)19-13(16-12)14(15-6-7-17-4)8-10(2)18-9-14/h10,15H,5-9H2,1-4H3
InChIKeyYHICLTHPUXRVQF-UHFFFAOYSA-N
XLogP2.97
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-1-propan-2-ylpyrrolidin-3-amine
CID 62543138
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-2-methylcyclohexan-1-amine
CID 62543641
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64753485
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-3-methylcyclohexan-1-amine
CID 62544284
N-ethyl-3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thiolan-3-amine
CID 61332756
N-ethyl-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3,4-dimethylcyclohexan-1-amine
CID 64746458
N-ethyl-4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thian-4-amine
CID 61330052
4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-methyl-N-propylpiperidin-4-amine
CID 61336145
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methoxy-N-methylcyclohexan-1-amine
CID 106873373
N-ethyl-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)cyclooctan-1-amine
CID 61332758
3-(4-tert-butyl-1,3-thiazol-2-yl)-5-methyl-N-propylthiolan-3-amine
CID 79950253
N-(2-methoxyethyl)-3,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)cyclohexan-1-amine
CID 64751515

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-5-methylthiolan-3-amine?
The IUPAC name of 3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-5-methylthiolan-3-amine (CID 79950737) is 3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-5-methylthiolan-3-amine.
What is the SMILES notation for 3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-5-methylthiolan-3-amine?
The canonical SMILES for 3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-5-methylthiolan-3-amine is CCc1nc(C2(NCCOC)CSC(C)C2)sc1C.
What is the InChIKey of 3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-5-methylthiolan-3-amine?
The InChIKey is YHICLTHPUXRVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS2/c1-5-12-11(3)19-13(16-12)14(15-6-7-17-4)8-10(2)18-9-14/h10,15H,5-9H2,1-4H3.
What are the key properties of 3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-5-methylthiolan-3-amine?
3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-5-methylthiolan-3-amine has a molecular weight of 300.49 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-5-methylthiolan-3-amine is sourced from PubChem (CID 79950737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).