2-(1,1-dioxothiolan-3-yl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine

C14H24N2O2S2 — CID 63019437

IUPAC2-(1,1-dioxothiolan-3-yl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine
SMILESCCCNCC(Cc1cnc(C)s1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H24N2O2S2/c1-3-5-15-8-13(7-14-9-16-11(2)19-14)12-4-6-20(17,18)10-12/h9,12-13,15H,3-8,10H2,1-2H3
InChIKeyKVXCPWGFCCGKHB-UHFFFAOYSA-N
MW316.49 g/mol
LogP2.04
Rot. Bonds7

About 2-(1,1-dioxothiolan-3-yl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine

2-(1,1-dioxothiolan-3-yl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine (PubChem CID 63019437) has the molecular formula C14H24N2O2S2 and a molecular weight of 316.49 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine
PubChem CID63019437
Molecular FormulaC14H24N2O2S2
Molecular Weight316.49 g/mol
Exact Mass316.13
IUPAC Name2-(1,1-dioxothiolan-3-yl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine
SMILESCCCNCC(Cc1cnc(C)s1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H24N2O2S2/c1-3-5-15-8-13(7-14-9-16-11(2)19-14)12-4-6-20(17,18)10-12/h9,12-13,15H,3-8,10H2,1-2H3
InChIKeyKVXCPWGFCCGKHB-UHFFFAOYSA-N
XLogP2.04
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(1,1-dioxothiolan-3-yl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine (CID 63019437) is 2-(1,1-dioxothiolan-3-yl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine is CCCNCC(Cc1cnc(C)s1)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine?
The InChIKey is KVXCPWGFCCGKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S2/c1-3-5-15-8-13(7-14-9-16-11(2)19-14)12-4-6-20(17,18)10-12/h9,12-13,15H,3-8,10H2,1-2H3.
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine?
2-(1,1-dioxothiolan-3-yl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine has a molecular weight of 316.49 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 63019437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).