5-(3-chlorophenyl)-N,N-diethyl-4-methyl-1,1-dioxo-1,2-thiazol-3-amine

C14H17ClN2O2S — CID 22512366

IUPAC5-(3-chlorophenyl)-N,N-diethyl-4-methyl-1,1-dioxo-1,2-thiazol-3-amine
SMILESCCN(CC)C1=NS(=O)(=O)C(c2cccc(Cl)c2)=C1C
InChIInChI=1S/C14H17ClN2O2S/c1-4-17(5-2)14-10(3)13(20(18,19)16-14)11-7-6-8-12(15)9-11/h6-9H,4-5H2,1-3H3
InChIKeyYFWUVBVEVVKARS-UHFFFAOYSA-N
MW312.82 g/mol
LogP3.15
Rot. Bonds3

About 5-(3-chlorophenyl)-N,N-diethyl-4-methyl-1,1-dioxo-1,2-thiazol-3-amine

5-(3-chlorophenyl)-N,N-diethyl-4-methyl-1,1-dioxo-1,2-thiazol-3-amine (PubChem CID 22512366) has the molecular formula C14H17ClN2O2S and a molecular weight of 312.82 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-N,N-diethyl-4-methyl-1,1-dioxo-1,2-thiazol-3-amine.

Molecular Properties

Compound Name5-(3-chlorophenyl)-N,N-diethyl-4-methyl-1,1-dioxo-1,2-thiazol-3-amine
PubChem CID22512366
Molecular FormulaC14H17ClN2O2S
Molecular Weight312.82 g/mol
Exact Mass312.07
IUPAC Name5-(3-chlorophenyl)-N,N-diethyl-4-methyl-1,1-dioxo-1,2-thiazol-3-amine
SMILESCCN(CC)C1=NS(=O)(=O)C(c2cccc(Cl)c2)=C1C
InChIInChI=1S/C14H17ClN2O2S/c1-4-17(5-2)14-10(3)13(20(18,19)16-14)11-7-6-8-12(15)9-11/h6-9H,4-5H2,1-3H3
InChIKeyYFWUVBVEVVKARS-UHFFFAOYSA-N
XLogP3.15
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.82
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-N,N-diethyl-4-methyl-1,1-dioxo-1,2-thiazol-3-amine?
The IUPAC name of 5-(3-chlorophenyl)-N,N-diethyl-4-methyl-1,1-dioxo-1,2-thiazol-3-amine (CID 22512366) is 5-(3-chlorophenyl)-N,N-diethyl-4-methyl-1,1-dioxo-1,2-thiazol-3-amine.
What is the SMILES notation for 5-(3-chlorophenyl)-N,N-diethyl-4-methyl-1,1-dioxo-1,2-thiazol-3-amine?
The canonical SMILES for 5-(3-chlorophenyl)-N,N-diethyl-4-methyl-1,1-dioxo-1,2-thiazol-3-amine is CCN(CC)C1=NS(=O)(=O)C(c2cccc(Cl)c2)=C1C.
What is the InChIKey of 5-(3-chlorophenyl)-N,N-diethyl-4-methyl-1,1-dioxo-1,2-thiazol-3-amine?
The InChIKey is YFWUVBVEVVKARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2S/c1-4-17(5-2)14-10(3)13(20(18,19)16-14)11-7-6-8-12(15)9-11/h6-9H,4-5H2,1-3H3.
What are the key properties of 5-(3-chlorophenyl)-N,N-diethyl-4-methyl-1,1-dioxo-1,2-thiazol-3-amine?
5-(3-chlorophenyl)-N,N-diethyl-4-methyl-1,1-dioxo-1,2-thiazol-3-amine has a molecular weight of 312.82 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-N,N-diethyl-4-methyl-1,1-dioxo-1,2-thiazol-3-amine is sourced from PubChem (CID 22512366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).