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

C14H24N2O2S2 — CID 63019438

IUPAC2-(1,1-dioxothiolan-3-yl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propan-2-ylpropan-1-amine
SMILESCc1ncc(CC(CNC(C)C)C2CCS(=O)(=O)C2)s1
InChIInChI=1S/C14H24N2O2S2/c1-10(2)15-7-13(6-14-8-16-11(3)19-14)12-4-5-20(17,18)9-12/h8,10,12-13,15H,4-7,9H2,1-3H3
InChIKeyZJSFWHMJOBRCRJ-UHFFFAOYSA-N
MW316.49 g/mol
LogP2.04
Rot. Bonds6

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

2-(1,1-dioxothiolan-3-yl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propan-2-ylpropan-1-amine (PubChem CID 63019438) 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-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propan-2-ylpropan-1-amine
PubChem CID63019438
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-propan-2-ylpropan-1-amine
SMILESCc1ncc(CC(CNC(C)C)C2CCS(=O)(=O)C2)s1
InChIInChI=1S/C14H24N2O2S2/c1-10(2)15-7-13(6-14-8-16-11(3)19-14)12-4-5-20(17,18)9-12/h8,10,12-13,15H,4-7,9H2,1-3H3
InChIKeyZJSFWHMJOBRCRJ-UHFFFAOYSA-N
XLogP2.04
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propan-2-ylpropan-1-amine (CID 63019438) is 2-(1,1-dioxothiolan-3-yl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propan-2-ylpropan-1-amine is Cc1ncc(CC(CNC(C)C)C2CCS(=O)(=O)C2)s1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propan-2-ylpropan-1-amine?
The InChIKey is ZJSFWHMJOBRCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S2/c1-10(2)15-7-13(6-14-8-16-11(3)19-14)12-4-5-20(17,18)9-12/h8,10,12-13,15H,4-7,9H2,1-3H3.
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propan-2-ylpropan-1-amine?
2-(1,1-dioxothiolan-3-yl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propan-2-ylpropan-1-amine has a molecular weight of 316.49 g/mol, XLogP of 2.04, 6 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-propan-2-ylpropan-1-amine is sourced from PubChem (CID 63019438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).