N'-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetohydrazide

C11H7BrF3N3OS — CID 1497824

IUPACN'-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetohydrazide
SMILESO=C(NNc1nc(-c2ccc(Br)cc2)cs1)C(F)(F)F
InChIInChI=1S/C11H7BrF3N3OS/c12-7-3-1-6(2-4-7)8-5-20-10(16-8)18-17-9(19)11(13,14)15/h1-5H,(H,16,18)(H,17,19)
InChIKeyJNPXZSKGRMAXSI-UHFFFAOYSA-N
MW366.16 g/mol
LogP3.58
Rot. Bonds3

About N'-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetohydrazide

N'-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetohydrazide (PubChem CID 1497824) has the molecular formula C11H7BrF3N3OS and a molecular weight of 366.16 g/mol. Its IUPAC name is N'-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetohydrazide.

Molecular Properties

Compound NameN'-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetohydrazide
PubChem CID1497824
Molecular FormulaC11H7BrF3N3OS
Molecular Weight366.16 g/mol
Exact Mass364.94
IUPAC NameN'-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetohydrazide
SMILESO=C(NNc1nc(-c2ccc(Br)cc2)cs1)C(F)(F)F
InChIInChI=1S/C11H7BrF3N3OS/c12-7-3-1-6(2-4-7)8-5-20-10(16-8)18-17-9(19)11(13,14)15/h1-5H,(H,16,18)(H,17,19)
InChIKeyJNPXZSKGRMAXSI-UHFFFAOYSA-N
XLogP3.58
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.16
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoro-N'-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetohydrazide
CID 1497723
2-bromo-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 87665337
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)benzamide
CID 26249519
4-(4-bromophenyl)-1,3-thiazol-2-amine;methyl 2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-3,3,3-trifluoropropanoate
CID 87617854
[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazine;hydrochloride
CID 90481496
2,2,2-trifluoro-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide
CID 5130084
N'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetohydrazide
CID 2315799
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 1225742
2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-2-methylpropan-1-ol
CID 87617935
tert-butyl N-[(4-phenyl-1,3-thiazol-2-yl)amino]carbamate
CID 89465893
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-bromobenzamide
CID 28861346
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide
CID 108762412

Frequently Asked Questions

What is the IUPAC name of N'-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetohydrazide?
The IUPAC name of N'-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetohydrazide (CID 1497824) is N'-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetohydrazide.
What is the SMILES notation for N'-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetohydrazide?
The canonical SMILES for N'-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetohydrazide is O=C(NNc1nc(-c2ccc(Br)cc2)cs1)C(F)(F)F.
What is the InChIKey of N'-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetohydrazide?
The InChIKey is JNPXZSKGRMAXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrF3N3OS/c12-7-3-1-6(2-4-7)8-5-20-10(16-8)18-17-9(19)11(13,14)15/h1-5H,(H,16,18)(H,17,19).
What are the key properties of N'-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetohydrazide?
N'-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetohydrazide has a molecular weight of 366.16 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetohydrazide is sourced from PubChem (CID 1497824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).