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

C14H17BrN2S — CID 116968382

IUPACN-[2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine
SMILESCC(C)NCCc1nc(-c2ccccc2Br)cs1
InChIInChI=1S/C14H17BrN2S/c1-10(2)16-8-7-14-17-13(9-18-14)11-5-3-4-6-12(11)15/h3-6,9-10,16H,7-8H2,1-2H3
InChIKeyUPXQZYNQCDCVSB-UHFFFAOYSA-N
MW325.27 g/mol
LogP4.11
Rot. Bonds5

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

N-[2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine (PubChem CID 116968382) has the molecular formula C14H17BrN2S and a molecular weight of 325.27 g/mol. Its IUPAC name is N-[2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine
PubChem CID116968382
Molecular FormulaC14H17BrN2S
Molecular Weight325.27 g/mol
Exact Mass324.03
IUPAC NameN-[2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine
SMILESCC(C)NCCc1nc(-c2ccccc2Br)cs1
InChIInChI=1S/C14H17BrN2S/c1-10(2)16-8-7-14-17-13(9-18-14)11-5-3-4-6-12(11)15/h3-6,9-10,16H,7-8H2,1-2H3
InChIKeyUPXQZYNQCDCVSB-UHFFFAOYSA-N
XLogP4.11
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.27
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine (CID 116968382) is N-[2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine is CC(C)NCCc1nc(-c2ccccc2Br)cs1.
What is the InChIKey of N-[2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine?
The InChIKey is UPXQZYNQCDCVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2S/c1-10(2)16-8-7-14-17-13(9-18-14)11-5-3-4-6-12(11)15/h3-6,9-10,16H,7-8H2,1-2H3.
What are the key properties of N-[2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine?
N-[2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine has a molecular weight of 325.27 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine is sourced from PubChem (CID 116968382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).