3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-1,1-dioxothian-3-amine

C13H22N2O3S2 — CID 63922480

IUPAC3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-1,1-dioxothian-3-amine
SMILESCOCCNC1(c2nc(C)c(C)s2)CCCS(=O)(=O)C1
InChIInChI=1S/C13H22N2O3S2/c1-10-11(2)19-12(15-10)13(14-6-7-18-3)5-4-8-20(16,17)9-13/h14H,4-9H2,1-3H3
InChIKeyARXCBWIZSSDRAZ-UHFFFAOYSA-N
MW318.46 g/mol
LogP1.40
Rot. Bonds5

About 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-1,1-dioxothian-3-amine

3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-1,1-dioxothian-3-amine (PubChem CID 63922480) has the molecular formula C13H22N2O3S2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-1,1-dioxothian-3-amine.

Molecular Properties

Compound Name3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-1,1-dioxothian-3-amine
PubChem CID63922480
Molecular FormulaC13H22N2O3S2
Molecular Weight318.46 g/mol
Exact Mass318.11
IUPAC Name3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-1,1-dioxothian-3-amine
SMILESCOCCNC1(c2nc(C)c(C)s2)CCCS(=O)(=O)C1
InChIInChI=1S/C13H22N2O3S2/c1-10-11(2)19-12(15-10)13(14-6-7-18-3)5-4-8-20(16,17)9-13/h14H,4-9H2,1-3H3
InChIKeyARXCBWIZSSDRAZ-UHFFFAOYSA-N
XLogP1.40
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-3-methylcyclohexan-1-amine
CID 62544284
4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-ethyl-N-(2-methoxyethyl)azepan-4-amine
CID 65077598
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)cyclopentan-1-amine
CID 62542255
N-(2-methoxyethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cycloheptan-1-amine
CID 62541738
3-(4,5-dimethyl-1,3-thiazol-2-yl)-1,1-dioxothiolan-3-amine
CID 63165946
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylcyclobutan-1-amine
CID 61331332
N-(2-methoxyethyl)-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopentan-1-amine
CID 62544746
N-(2-methoxyethyl)-1-methyl-4-(4-methyl-1,3-thiazol-2-yl)azepan-4-amine
CID 65074914
N-(2-methoxyethyl)-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclooctan-1-amine
CID 62542954
4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propylpiperidin-4-amine
CID 61334576
3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-1-propan-2-ylpyrrolidin-3-amine
CID 62543138
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propyl-3-(trifluoromethyl)cyclohexan-1-amine
CID 64757627

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-1,1-dioxothian-3-amine?
The IUPAC name of 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-1,1-dioxothian-3-amine (CID 63922480) is 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-1,1-dioxothian-3-amine.
What is the SMILES notation for 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-1,1-dioxothian-3-amine?
The canonical SMILES for 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-1,1-dioxothian-3-amine is COCCNC1(c2nc(C)c(C)s2)CCCS(=O)(=O)C1.
What is the InChIKey of 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-1,1-dioxothian-3-amine?
The InChIKey is ARXCBWIZSSDRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S2/c1-10-11(2)19-12(15-10)13(14-6-7-18-3)5-4-8-20(16,17)9-13/h14H,4-9H2,1-3H3.
What are the key properties of 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-1,1-dioxothian-3-amine?
3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-1,1-dioxothian-3-amine has a molecular weight of 318.46 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-1,1-dioxothian-3-amine is sourced from PubChem (CID 63922480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).