5-(benzenesulfonyl)-4-(4-bromophenyl)-1,3-thiazol-2-amine

C15H11BrN2O2S2 — CID 981609

IUPAC5-(benzenesulfonyl)-4-(4-bromophenyl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccc(Br)cc2)c(S(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C15H11BrN2O2S2/c16-11-8-6-10(7-9-11)13-14(21-15(17)18-13)22(19,20)12-4-2-1-3-5-12/h1-9H,(H2,17,18)
InChIKeyHZCMSNQOGYUVRR-UHFFFAOYSA-N
MW395.30 g/mol
LogP3.99
Rot. Bonds3

About 5-(benzenesulfonyl)-4-(4-bromophenyl)-1,3-thiazol-2-amine

5-(benzenesulfonyl)-4-(4-bromophenyl)-1,3-thiazol-2-amine (PubChem CID 981609) has the molecular formula C15H11BrN2O2S2 and a molecular weight of 395.30 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-4-(4-bromophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(benzenesulfonyl)-4-(4-bromophenyl)-1,3-thiazol-2-amine
PubChem CID981609
Molecular FormulaC15H11BrN2O2S2
Molecular Weight395.30 g/mol
Exact Mass393.94
IUPAC Name5-(benzenesulfonyl)-4-(4-bromophenyl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccc(Br)cc2)c(S(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C15H11BrN2O2S2/c16-11-8-6-10(7-9-11)13-14(21-15(17)18-13)22(19,20)12-4-2-1-3-5-12/h1-9H,(H2,17,18)
InChIKeyHZCMSNQOGYUVRR-UHFFFAOYSA-N
XLogP3.99
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.30
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-4-(4-bromophenyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(benzenesulfonyl)-4-(4-bromophenyl)-1,3-thiazol-2-amine (CID 981609) is 5-(benzenesulfonyl)-4-(4-bromophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(benzenesulfonyl)-4-(4-bromophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(benzenesulfonyl)-4-(4-bromophenyl)-1,3-thiazol-2-amine is Nc1nc(-c2ccc(Br)cc2)c(S(=O)(=O)c2ccccc2)s1.
What is the InChIKey of 5-(benzenesulfonyl)-4-(4-bromophenyl)-1,3-thiazol-2-amine?
The InChIKey is HZCMSNQOGYUVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O2S2/c16-11-8-6-10(7-9-11)13-14(21-15(17)18-13)22(19,20)12-4-2-1-3-5-12/h1-9H,(H2,17,18).
What are the key properties of 5-(benzenesulfonyl)-4-(4-bromophenyl)-1,3-thiazol-2-amine?
5-(benzenesulfonyl)-4-(4-bromophenyl)-1,3-thiazol-2-amine has a molecular weight of 395.30 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-4-(4-bromophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 981609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).