N-(3-bromo-2-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine

C16H15BrN2S — CID 107637509

IUPACN-(3-bromo-2-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1c(Br)cccc1NC1=NC(c2ccccc2)CS1
InChIInChI=1S/C16H15BrN2S/c1-11-13(17)8-5-9-14(11)18-16-19-15(10-20-16)12-6-3-2-4-7-12/h2-9,15H,10H2,1H3,(H,18,19)
InChIKeyJLLCIPSHAPCJLM-UHFFFAOYSA-N
MW347.28 g/mol
LogP5.01
Rot. Bonds2

About N-(3-bromo-2-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine

N-(3-bromo-2-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 107637509) has the molecular formula C16H15BrN2S and a molecular weight of 347.28 g/mol. Its IUPAC name is N-(3-bromo-2-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-bromo-2-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID107637509
Molecular FormulaC16H15BrN2S
Molecular Weight347.28 g/mol
Exact Mass346.01
IUPAC NameN-(3-bromo-2-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1c(Br)cccc1NC1=NC(c2ccccc2)CS1
InChIInChI=1S/C16H15BrN2S/c1-11-13(17)8-5-9-14(11)18-16-19-15(10-20-16)12-6-3-2-4-7-12/h2-9,15H,10H2,1H3,(H,18,19)
InChIKeyJLLCIPSHAPCJLM-UHFFFAOYSA-N
XLogP5.01
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.28
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromo-2-methylphenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 107637513
N-(2,6-dimethylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 63182912
N-(3-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 63183120
N-(2-bromo-5-chlorophenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 81275549
N-(5-bromo-2,4-difluorophenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 102854291
N-(3-bromo-2-methylphenyl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
CID 106363835
N-(3-bromo-2-methylphenyl)-4-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 114211112
N-(2,5-difluoro-4-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 103586627
N-[2-(methoxymethyl)phenyl]-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 63182893
N-(3-fluoro-5-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 79049823
N-(4-fluoro-3-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 63184109
N-(3-chloro-4-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 63183024

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(3-bromo-2-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine (CID 107637509) is N-(3-bromo-2-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-bromo-2-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-bromo-2-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine is Cc1c(Br)cccc1NC1=NC(c2ccccc2)CS1.
What is the InChIKey of N-(3-bromo-2-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is JLLCIPSHAPCJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2S/c1-11-13(17)8-5-9-14(11)18-16-19-15(10-20-16)12-6-3-2-4-7-12/h2-9,15H,10H2,1H3,(H,18,19).
What are the key properties of N-(3-bromo-2-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
N-(3-bromo-2-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 347.28 g/mol, XLogP of 5.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 107637509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).