4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-amine;hydrate;hydrobromide

C15H14BrClN2OS — CID 134095812

IUPAC4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-amine;hydrate;hydrobromide
SMILESBr.Nc1nc(-c2ccc(Cl)cc2)c(-c2ccccc2)s1.O
InChIInChI=1S/C15H11ClN2S.BrH.H2O/c16-12-8-6-10(7-9-12)13-14(19-15(17)18-13)11-4-2-1-3-5-11;;/h1-9H,(H2,17,18);1H;1H2
InChIKeyQOBMEWZELPXIHR-UHFFFAOYSA-N
MW385.71 g/mol
LogP4.47
Rot. Bonds2

About 4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-amine;hydrate;hydrobromide

4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-amine;hydrate;hydrobromide (PubChem CID 134095812) has the molecular formula C15H14BrClN2OS and a molecular weight of 385.71 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-amine;hydrate;hydrobromide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-amine;hydrate;hydrobromide
PubChem CID134095812
Molecular FormulaC15H14BrClN2OS
Molecular Weight385.71 g/mol
Exact Mass383.97
IUPAC Name4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-amine;hydrate;hydrobromide
SMILESBr.Nc1nc(-c2ccc(Cl)cc2)c(-c2ccccc2)s1.O
InChIInChI=1S/C15H11ClN2S.BrH.H2O/c16-12-8-6-10(7-9-12)13-14(19-15(17)18-13)11-4-2-1-3-5-11;;/h1-9H,(H2,17,18);1H;1H2
InChIKeyQOBMEWZELPXIHR-UHFFFAOYSA-N
XLogP4.47
TPSA70.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.71
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-amine
CID 2806452
4-(4-chlorophenyl)-5-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2806464
4-(4-methoxyphenyl)-5-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 88568617
4-(4-chlorophenyl)-N,5-diphenyl-1,3-thiazol-2-amine;hydrobromide
CID 2806453
2-bromo-4,5-bis(4-chlorophenyl)-1,3-thiazole
CID 21409105
5-(4-chlorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine
CID 82106922
4-(4-phenylphenyl)-1,3-thiazole-2,5-diamine
CID 82342174
5-phenyl-1,3-thiazole-2,4-diamine
CID 10275
4-(4-methylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-amine
CID 11184721
4-(2-fluorophenyl)-5-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 82106645
4-[(E)-C-[4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]carbonohydrazonoyl]phenol
CID 135801855
5-(3-chlorophenyl)-4-thiophen-3-yl-1,3-thiazol-2-amine
CID 82106545

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-amine;hydrate;hydrobromide?
The IUPAC name of 4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-amine;hydrate;hydrobromide (CID 134095812) is 4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-amine;hydrate;hydrobromide.
What is the SMILES notation for 4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-amine;hydrate;hydrobromide?
The canonical SMILES for 4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-amine;hydrate;hydrobromide is Br.Nc1nc(-c2ccc(Cl)cc2)c(-c2ccccc2)s1.O.
What is the InChIKey of 4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-amine;hydrate;hydrobromide?
The InChIKey is QOBMEWZELPXIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2S.BrH.H2O/c16-12-8-6-10(7-9-12)13-14(19-15(17)18-13)11-4-2-1-3-5-11;;/h1-9H,(H2,17,18);1H;1H2.
What are the key properties of 4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-amine;hydrate;hydrobromide?
4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-amine;hydrate;hydrobromide has a molecular weight of 385.71 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-amine;hydrate;hydrobromide is sourced from PubChem (CID 134095812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).