2-[(4-bromophenyl)methyl]-4,5-dihydro-1,3-thiazol-4-amine

C10H11BrN2S — CID 154476336

IUPAC2-[(4-bromophenyl)methyl]-4,5-dihydro-1,3-thiazol-4-amine
SMILESNC1CSC(Cc2ccc(Br)cc2)=N1
InChIInChI=1S/C10H11BrN2S/c11-8-3-1-7(2-4-8)5-10-13-9(12)6-14-10/h1-4,9H,5-6,12H2
InChIKeyRGHBDPLURBHGAX-UHFFFAOYSA-N
MW271.18 g/mol
LogP2.42
Rot. Bonds2

About 2-[(4-bromophenyl)methyl]-4,5-dihydro-1,3-thiazol-4-amine

2-[(4-bromophenyl)methyl]-4,5-dihydro-1,3-thiazol-4-amine (PubChem CID 154476336) has the molecular formula C10H11BrN2S and a molecular weight of 271.18 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl]-4,5-dihydro-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl]-4,5-dihydro-1,3-thiazol-4-amine
PubChem CID154476336
Molecular FormulaC10H11BrN2S
Molecular Weight271.18 g/mol
Exact Mass269.98
IUPAC Name2-[(4-bromophenyl)methyl]-4,5-dihydro-1,3-thiazol-4-amine
SMILESNC1CSC(Cc2ccc(Br)cc2)=N1
InChIInChI=1S/C10H11BrN2S/c11-8-3-1-7(2-4-8)5-10-13-9(12)6-14-10/h1-4,9H,5-6,12H2
InChIKeyRGHBDPLURBHGAX-UHFFFAOYSA-N
XLogP2.42
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.18
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl]-4,5-dihydro-1,3-thiazol-4-amine?
The IUPAC name of 2-[(4-bromophenyl)methyl]-4,5-dihydro-1,3-thiazol-4-amine (CID 154476336) is 2-[(4-bromophenyl)methyl]-4,5-dihydro-1,3-thiazol-4-amine.
What is the SMILES notation for 2-[(4-bromophenyl)methyl]-4,5-dihydro-1,3-thiazol-4-amine?
The canonical SMILES for 2-[(4-bromophenyl)methyl]-4,5-dihydro-1,3-thiazol-4-amine is NC1CSC(Cc2ccc(Br)cc2)=N1.
What is the InChIKey of 2-[(4-bromophenyl)methyl]-4,5-dihydro-1,3-thiazol-4-amine?
The InChIKey is RGHBDPLURBHGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2S/c11-8-3-1-7(2-4-8)5-10-13-9(12)6-14-10/h1-4,9H,5-6,12H2.
What are the key properties of 2-[(4-bromophenyl)methyl]-4,5-dihydro-1,3-thiazol-4-amine?
2-[(4-bromophenyl)methyl]-4,5-dihydro-1,3-thiazol-4-amine has a molecular weight of 271.18 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl]-4,5-dihydro-1,3-thiazol-4-amine is sourced from PubChem (CID 154476336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).