N-[4-[2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]phenyl]acetamide;hydrobromide

C17H16BrN5OS — CID 44657420

IUPACN-[4-[2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]phenyl]acetamide;hydrobromide
SMILESBr.CC(=O)Nc1ccc(-c2csc(N/N=C\c3ccncc3)n2)cc1
InChIInChI=1S/C17H15N5OS.BrH/c1-12(23)20-15-4-2-14(3-5-15)16-11-24-17(21-16)22-19-10-13-6-8-18-9-7-13;/h2-11H,1H3,(H,20,23)(H,21,22);1H/b19-10-;
InChIKeyIMFVLWLGNHNKFR-PEZBNFGJSA-N
MW418.32 g/mol
LogP4.19
Rot. Bonds5

About N-[4-[2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]phenyl]acetamide;hydrobromide

N-[4-[2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]phenyl]acetamide;hydrobromide (PubChem CID 44657420) has the molecular formula C17H16BrN5OS and a molecular weight of 418.32 g/mol. Its IUPAC name is N-[4-[2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]phenyl]acetamide;hydrobromide.

Molecular Properties

Compound NameN-[4-[2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]phenyl]acetamide;hydrobromide
PubChem CID44657420
Molecular FormulaC17H16BrN5OS
Molecular Weight418.32 g/mol
Exact Mass417.03
IUPAC NameN-[4-[2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]phenyl]acetamide;hydrobromide
SMILESBr.CC(=O)Nc1ccc(-c2csc(N/N=C\c3ccncc3)n2)cc1
InChIInChI=1S/C17H15N5OS.BrH/c1-12(23)20-15-4-2-14(3-5-15)16-11-24-17(21-16)22-19-10-13-6-8-18-9-7-13;/h2-11H,1H3,(H,20,23)(H,21,22);1H/b19-10-;
InChIKeyIMFVLWLGNHNKFR-PEZBNFGJSA-N
XLogP4.19
TPSA79.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.32
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[4-[2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]phenyl]acetamide;hydrobromide with MolForge

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Related Compounds

Stf-62247
CID 704473
Acetamide, N-[4-[2-(2-pyridinylamino)-4-thiazolyl]phenyl]-
CID 973066
N-(2-ethylphenyl)-4-(pyridin-3-yl)-1,3-thiazol-2-amine
CID 746667
(5-Methyl-pyridin-2-yl)-(4-phenyl-thiazol-2-yl)-amine
CID 972993
N,N-diethyl-N'-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,4-diamine
CID 1502838
(E)-3-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)prop-2-enamide
CID 5829079
N-(4-Methylphenyl)-4-(4-pyridinyl)-1,3-thiazol-2-amine
CID 704482
4-N,4-N-dimethyl-1-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,4-diamine
CID 704601
Isonicotinaldehyde (4-phenyl-1,3-thiazol-2-yl)hydrazone
CID 9572803
N-{3-[4-(4-methyl-2-methylamino-thiazol-5-yl)-pyrimidin-2-ylamino]-benzyl}-acetamide
CID 10361685
N-[4-(2-Pyridin-3-yl-thiazol-4-yl)-phenyl]-acetamide
CID 884114
N-{4-[2-(2-pyrimidinylamino)-1,3-thiazol-4-yl]phenyl}acetamide
CID 972289

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]phenyl]acetamide;hydrobromide?
The IUPAC name of N-[4-[2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]phenyl]acetamide;hydrobromide (CID 44657420) is N-[4-[2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]phenyl]acetamide;hydrobromide.
What is the SMILES notation for N-[4-[2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]phenyl]acetamide;hydrobromide?
The canonical SMILES for N-[4-[2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]phenyl]acetamide;hydrobromide is Br.CC(=O)Nc1ccc(-c2csc(N/N=C\c3ccncc3)n2)cc1.
What is the InChIKey of N-[4-[2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]phenyl]acetamide;hydrobromide?
The InChIKey is IMFVLWLGNHNKFR-PEZBNFGJSA-N. The full InChI is InChI=1S/C17H15N5OS.BrH/c1-12(23)20-15-4-2-14(3-5-15)16-11-24-17(21-16)22-19-10-13-6-8-18-9-7-13;/h2-11H,1H3,(H,20,23)(H,21,22);1H/b19-10-;.
What are the key properties of N-[4-[2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]phenyl]acetamide;hydrobromide?
N-[4-[2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]phenyl]acetamide;hydrobromide has a molecular weight of 418.32 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]phenyl]acetamide;hydrobromide is sourced from PubChem (CID 44657420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).