3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenol;hydrobromide

C14H14BrN3OS2 — CID 2877248

IUPAC3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenol;hydrobromide
SMILESBr.Cc1nc(C)c(-c2csc(Nc3cccc(O)c3)n2)s1
InChIInChI=1S/C14H13N3OS2.BrH/c1-8-13(20-9(2)15-8)12-7-19-14(17-12)16-10-4-3-5-11(18)6-10;/h3-7,18H,1-2H3,(H,16,17);1H
InChIKeyHHBVARVQWRMPQF-UHFFFAOYSA-N
MW384.32 g/mol
LogP4.91
Rot. Bonds3

About 3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenol;hydrobromide

3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenol;hydrobromide (PubChem CID 2877248) has the molecular formula C14H14BrN3OS2 and a molecular weight of 384.32 g/mol. Its IUPAC name is 3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenol;hydrobromide.

Molecular Properties

Compound Name3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenol;hydrobromide
PubChem CID2877248
Molecular FormulaC14H14BrN3OS2
Molecular Weight384.32 g/mol
Exact Mass382.98
IUPAC Name3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenol;hydrobromide
SMILESBr.Cc1nc(C)c(-c2csc(Nc3cccc(O)c3)n2)s1
InChIInChI=1S/C14H13N3OS2.BrH/c1-8-13(20-9(2)15-8)12-7-19-14(17-12)16-10-4-3-5-11(18)6-10;/h3-7,18H,1-2H3,(H,16,17);1H
InChIKeyHHBVARVQWRMPQF-UHFFFAOYSA-N
XLogP4.91
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.32
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenol;hydrobromide?
The IUPAC name of 3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenol;hydrobromide (CID 2877248) is 3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenol;hydrobromide.
What is the SMILES notation for 3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenol;hydrobromide?
The canonical SMILES for 3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenol;hydrobromide is Br.Cc1nc(C)c(-c2csc(Nc3cccc(O)c3)n2)s1.
What is the InChIKey of 3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenol;hydrobromide?
The InChIKey is HHBVARVQWRMPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS2.BrH/c1-8-13(20-9(2)15-8)12-7-19-14(17-12)16-10-4-3-5-11(18)6-10;/h3-7,18H,1-2H3,(H,16,17);1H.
What are the key properties of 3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenol;hydrobromide?
3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenol;hydrobromide has a molecular weight of 384.32 g/mol, XLogP of 4.91, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenol;hydrobromide is sourced from PubChem (CID 2877248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).