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

C12H13BrN2S — CID 8878385

IUPAC4-(3-bromophenyl)-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)Nc1nc(-c2cccc(Br)c2)cs1
InChIInChI=1S/C12H13BrN2S/c1-8(2)14-12-15-11(7-16-12)9-4-3-5-10(13)6-9/h3-8H,1-2H3,(H,14,15)
InChIKeyZTWRKVHVKUSPTL-UHFFFAOYSA-N
MW297.22 g/mol
LogP4.39
Rot. Bonds3

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

4-(3-bromophenyl)-N-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 8878385) has the molecular formula C12H13BrN2S and a molecular weight of 297.22 g/mol. Its IUPAC name is 4-(3-bromophenyl)-N-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3-bromophenyl)-N-propan-2-yl-1,3-thiazol-2-amine
PubChem CID8878385
Molecular FormulaC12H13BrN2S
Molecular Weight297.22 g/mol
Exact Mass296.00
IUPAC Name4-(3-bromophenyl)-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)Nc1nc(-c2cccc(Br)c2)cs1
InChIInChI=1S/C12H13BrN2S/c1-8(2)14-12-15-11(7-16-12)9-4-3-5-10(13)6-9/h3-8H,1-2H3,(H,14,15)
InChIKeyZTWRKVHVKUSPTL-UHFFFAOYSA-N
XLogP4.39
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.22
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-N-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-(3-bromophenyl)-N-propan-2-yl-1,3-thiazol-2-amine (CID 8878385) is 4-(3-bromophenyl)-N-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3-bromophenyl)-N-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3-bromophenyl)-N-propan-2-yl-1,3-thiazol-2-amine is CC(C)Nc1nc(-c2cccc(Br)c2)cs1.
What is the InChIKey of 4-(3-bromophenyl)-N-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is ZTWRKVHVKUSPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2S/c1-8(2)14-12-15-11(7-16-12)9-4-3-5-10(13)6-9/h3-8H,1-2H3,(H,14,15).
What are the key properties of 4-(3-bromophenyl)-N-propan-2-yl-1,3-thiazol-2-amine?
4-(3-bromophenyl)-N-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 297.22 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-N-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 8878385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).