N-(2-bromophenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine;hydrochloride

C16H14BrClN2S — CID 45053016

IUPACN-(2-bromophenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine;hydrochloride
SMILESCc1sc(Nc2ccccc2Br)nc1-c1ccccc1.Cl
InChIInChI=1S/C16H13BrN2S.ClH/c1-11-15(12-7-3-2-4-8-12)19-16(20-11)18-14-10-6-5-9-13(14)17;/h2-10H,1H3,(H,18,19);1H
InChIKeyBNVPBWPZFRFCST-UHFFFAOYSA-N
MW381.73 g/mol
LogP6.05
Rot. Bonds3

About N-(2-bromophenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine;hydrochloride

N-(2-bromophenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine;hydrochloride (PubChem CID 45053016) has the molecular formula C16H14BrClN2S and a molecular weight of 381.73 g/mol. Its IUPAC name is N-(2-bromophenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound NameN-(2-bromophenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine;hydrochloride
PubChem CID45053016
Molecular FormulaC16H14BrClN2S
Molecular Weight381.73 g/mol
Exact Mass379.97
IUPAC NameN-(2-bromophenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine;hydrochloride
SMILESCc1sc(Nc2ccccc2Br)nc1-c1ccccc1.Cl
InChIInChI=1S/C16H13BrN2S.ClH/c1-11-15(12-7-3-2-4-8-12)19-16(20-11)18-14-10-6-5-9-13(14)17;/h2-10H,1H3,(H,18,19);1H
InChIKeyBNVPBWPZFRFCST-UHFFFAOYSA-N
XLogP6.05
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.73
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of N-(2-bromophenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine;hydrochloride (CID 45053016) is N-(2-bromophenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for N-(2-bromophenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for N-(2-bromophenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine;hydrochloride is Cc1sc(Nc2ccccc2Br)nc1-c1ccccc1.Cl.
What is the InChIKey of N-(2-bromophenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is BNVPBWPZFRFCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2S.ClH/c1-11-15(12-7-3-2-4-8-12)19-16(20-11)18-14-10-6-5-9-13(14)17;/h2-10H,1H3,(H,18,19);1H.
What are the key properties of N-(2-bromophenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine;hydrochloride?
N-(2-bromophenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 381.73 g/mol, XLogP of 6.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 45053016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).