[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone

C14H16BrN3OS2 — CID 120570853

IUPAC[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone
SMILESCC1NCCN(C(=O)c2csc(-c3cc(Br)cs3)n2)C1C
InChIInChI=1S/C14H16BrN3OS2/c1-8-9(2)18(4-3-16-8)14(19)11-7-21-13(17-11)12-5-10(15)6-20-12/h5-9,16H,3-4H2,1-2H3
InChIKeyDROQTXFMBNPRCG-UHFFFAOYSA-N
MW386.34 g/mol
LogP3.46
Rot. Bonds2

About [2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone

[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone (PubChem CID 120570853) has the molecular formula C14H16BrN3OS2 and a molecular weight of 386.34 g/mol. Its IUPAC name is [2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone
PubChem CID120570853
Molecular FormulaC14H16BrN3OS2
Molecular Weight386.34 g/mol
Exact Mass384.99
IUPAC Name[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone
SMILESCC1NCCN(C(=O)c2csc(-c3cc(Br)cs3)n2)C1C
InChIInChI=1S/C14H16BrN3OS2/c1-8-9(2)18(4-3-16-8)14(19)11-7-21-13(17-11)12-5-10(15)6-20-12/h5-9,16H,3-4H2,1-2H3
InChIKeyDROQTXFMBNPRCG-UHFFFAOYSA-N
XLogP3.46
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.34
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone?
The IUPAC name of [2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone (CID 120570853) is [2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone is CC1NCCN(C(=O)c2csc(-c3cc(Br)cs3)n2)C1C.
What is the InChIKey of [2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone?
The InChIKey is DROQTXFMBNPRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3OS2/c1-8-9(2)18(4-3-16-8)14(19)11-7-21-13(17-11)12-5-10(15)6-20-12/h5-9,16H,3-4H2,1-2H3.
What are the key properties of [2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone?
[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone has a molecular weight of 386.34 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 120570853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).