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

C14H15BrN2O2S2 — CID 4916649

IUPAC4-(4-bromophenyl)-N-(1,1-dioxothiolan-3-yl)-N-methyl-1,3-thiazol-2-amine
SMILESCN(c1nc(-c2ccc(Br)cc2)cs1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H15BrN2O2S2/c1-17(12-6-7-21(18,19)9-12)14-16-13(8-20-14)10-2-4-11(15)5-3-10/h2-5,8,12H,6-7,9H2,1H3
InChIKeyIHAPMOBRYZOQFE-UHFFFAOYSA-N
MW387.32 g/mol
LogP3.20
Rot. Bonds3

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

4-(4-bromophenyl)-N-(1,1-dioxothiolan-3-yl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 4916649) has the molecular formula C14H15BrN2O2S2 and a molecular weight of 387.32 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N-(1,1-dioxothiolan-3-yl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)-N-(1,1-dioxothiolan-3-yl)-N-methyl-1,3-thiazol-2-amine
PubChem CID4916649
Molecular FormulaC14H15BrN2O2S2
Molecular Weight387.32 g/mol
Exact Mass385.98
IUPAC Name4-(4-bromophenyl)-N-(1,1-dioxothiolan-3-yl)-N-methyl-1,3-thiazol-2-amine
SMILESCN(c1nc(-c2ccc(Br)cc2)cs1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H15BrN2O2S2/c1-17(12-6-7-21(18,19)9-12)14-16-13(8-20-14)10-2-4-11(15)5-3-10/h2-5,8,12H,6-7,9H2,1H3
InChIKeyIHAPMOBRYZOQFE-UHFFFAOYSA-N
XLogP3.20
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.32
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-N-(1,1-dioxothiolan-3-yl)-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-bromophenyl)-N-(1,1-dioxothiolan-3-yl)-N-methyl-1,3-thiazol-2-amine (CID 4916649) is 4-(4-bromophenyl)-N-(1,1-dioxothiolan-3-yl)-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-bromophenyl)-N-(1,1-dioxothiolan-3-yl)-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-bromophenyl)-N-(1,1-dioxothiolan-3-yl)-N-methyl-1,3-thiazol-2-amine is CN(c1nc(-c2ccc(Br)cc2)cs1)C1CCS(=O)(=O)C1.
What is the InChIKey of 4-(4-bromophenyl)-N-(1,1-dioxothiolan-3-yl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is IHAPMOBRYZOQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2S2/c1-17(12-6-7-21(18,19)9-12)14-16-13(8-20-14)10-2-4-11(15)5-3-10/h2-5,8,12H,6-7,9H2,1H3.
What are the key properties of 4-(4-bromophenyl)-N-(1,1-dioxothiolan-3-yl)-N-methyl-1,3-thiazol-2-amine?
4-(4-bromophenyl)-N-(1,1-dioxothiolan-3-yl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 387.32 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-N-(1,1-dioxothiolan-3-yl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 4916649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).