N-(1,1-dioxothiolan-3-yl)-N-methyl-4-phenyl-1,3-thiazol-2-amine

C14H16N2O2S2 — CID 2975913

IUPACN-(1,1-dioxothiolan-3-yl)-N-methyl-4-phenyl-1,3-thiazol-2-amine
SMILESCN(c1nc(-c2ccccc2)cs1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H16N2O2S2/c1-16(12-7-8-20(17,18)10-12)14-15-13(9-19-14)11-5-3-2-4-6-11/h2-6,9,12H,7-8,10H2,1H3
InChIKeyXDKQQMSPQKMLTF-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.43
Rot. Bonds3

About N-(1,1-dioxothiolan-3-yl)-N-methyl-4-phenyl-1,3-thiazol-2-amine

N-(1,1-dioxothiolan-3-yl)-N-methyl-4-phenyl-1,3-thiazol-2-amine (PubChem CID 2975913) has the molecular formula C14H16N2O2S2 and a molecular weight of 308.43 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-methyl-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-methyl-4-phenyl-1,3-thiazol-2-amine
PubChem CID2975913
Molecular FormulaC14H16N2O2S2
Molecular Weight308.43 g/mol
Exact Mass308.07
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-methyl-4-phenyl-1,3-thiazol-2-amine
SMILESCN(c1nc(-c2ccccc2)cs1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H16N2O2S2/c1-16(12-7-8-20(17,18)10-12)14-15-13(9-19-14)11-5-3-2-4-6-11/h2-6,9,12H,7-8,10H2,1H3
InChIKeyXDKQQMSPQKMLTF-UHFFFAOYSA-N
XLogP2.43
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-4-phenyl-1,3-thiazol-2-amine (CID 2975913) is N-(1,1-dioxothiolan-3-yl)-N-methyl-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-methyl-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-methyl-4-phenyl-1,3-thiazol-2-amine is CN(c1nc(-c2ccccc2)cs1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-methyl-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is XDKQQMSPQKMLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S2/c1-16(12-7-8-20(17,18)10-12)14-15-13(9-19-14)11-5-3-2-4-6-11/h2-6,9,12H,7-8,10H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-methyl-4-phenyl-1,3-thiazol-2-amine?
N-(1,1-dioxothiolan-3-yl)-N-methyl-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 308.43 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-methyl-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 2975913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).