N-benzyl-5-(4-chlorophenyl)-N,4-dimethyl-1,1-dioxo-1,2-thiazol-3-amine

C18H17ClN2O2S — CID 22512105

IUPACN-benzyl-5-(4-chlorophenyl)-N,4-dimethyl-1,1-dioxo-1,2-thiazol-3-amine
SMILESCC1=C(c2ccc(Cl)cc2)S(=O)(=O)N=C1N(C)Cc1ccccc1
InChIInChI=1S/C18H17ClN2O2S/c1-13-17(15-8-10-16(19)11-9-15)24(22,23)20-18(13)21(2)12-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
InChIKeyRVVDQNREAGNUIV-UHFFFAOYSA-N
MW360.87 g/mol
LogP3.94
Rot. Bonds3

About N-benzyl-5-(4-chlorophenyl)-N,4-dimethyl-1,1-dioxo-1,2-thiazol-3-amine

N-benzyl-5-(4-chlorophenyl)-N,4-dimethyl-1,1-dioxo-1,2-thiazol-3-amine (PubChem CID 22512105) has the molecular formula C18H17ClN2O2S and a molecular weight of 360.87 g/mol. Its IUPAC name is N-benzyl-5-(4-chlorophenyl)-N,4-dimethyl-1,1-dioxo-1,2-thiazol-3-amine.

Molecular Properties

Compound NameN-benzyl-5-(4-chlorophenyl)-N,4-dimethyl-1,1-dioxo-1,2-thiazol-3-amine
PubChem CID22512105
Molecular FormulaC18H17ClN2O2S
Molecular Weight360.87 g/mol
Exact Mass360.07
IUPAC NameN-benzyl-5-(4-chlorophenyl)-N,4-dimethyl-1,1-dioxo-1,2-thiazol-3-amine
SMILESCC1=C(c2ccc(Cl)cc2)S(=O)(=O)N=C1N(C)Cc1ccccc1
InChIInChI=1S/C18H17ClN2O2S/c1-13-17(15-8-10-16(19)11-9-15)24(22,23)20-18(13)21(2)12-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
InChIKeyRVVDQNREAGNUIV-UHFFFAOYSA-N
XLogP3.94
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.87
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(4-chlorophenyl)-N,4-dimethyl-1,1-dioxo-1,2-thiazol-3-amine?
The IUPAC name of N-benzyl-5-(4-chlorophenyl)-N,4-dimethyl-1,1-dioxo-1,2-thiazol-3-amine (CID 22512105) is N-benzyl-5-(4-chlorophenyl)-N,4-dimethyl-1,1-dioxo-1,2-thiazol-3-amine.
What is the SMILES notation for N-benzyl-5-(4-chlorophenyl)-N,4-dimethyl-1,1-dioxo-1,2-thiazol-3-amine?
The canonical SMILES for N-benzyl-5-(4-chlorophenyl)-N,4-dimethyl-1,1-dioxo-1,2-thiazol-3-amine is CC1=C(c2ccc(Cl)cc2)S(=O)(=O)N=C1N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-5-(4-chlorophenyl)-N,4-dimethyl-1,1-dioxo-1,2-thiazol-3-amine?
The InChIKey is RVVDQNREAGNUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2S/c1-13-17(15-8-10-16(19)11-9-15)24(22,23)20-18(13)21(2)12-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3.
What are the key properties of N-benzyl-5-(4-chlorophenyl)-N,4-dimethyl-1,1-dioxo-1,2-thiazol-3-amine?
N-benzyl-5-(4-chlorophenyl)-N,4-dimethyl-1,1-dioxo-1,2-thiazol-3-amine has a molecular weight of 360.87 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(4-chlorophenyl)-N,4-dimethyl-1,1-dioxo-1,2-thiazol-3-amine is sourced from PubChem (CID 22512105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).