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

C19H20BrN5OS — CID 44655640

IUPACN-[4-[2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]phenyl]butanamide;hydrobromide
SMILESBr.CCCC(=O)Nc1ccc(-c2csc(N/N=C\c3ccncc3)n2)cc1
InChIInChI=1S/C19H19N5OS.BrH/c1-2-3-18(25)22-16-6-4-15(5-7-16)17-13-26-19(23-17)24-21-12-14-8-10-20-11-9-14;/h4-13H,2-3H2,1H3,(H,22,25)(H,23,24);1H/b21-12-;
InChIKeyGFTJPDIIBWKVHE-SDKPGJOKSA-N
MW446.37 g/mol
LogP4.97
Rot. Bonds7

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

N-[4-[2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]phenyl]butanamide;hydrobromide (PubChem CID 44655640) has the molecular formula C19H20BrN5OS and a molecular weight of 446.37 g/mol. Its IUPAC name is N-[4-[2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]phenyl]butanamide;hydrobromide.

Molecular Properties

Compound NameN-[4-[2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]phenyl]butanamide;hydrobromide
PubChem CID44655640
Molecular FormulaC19H20BrN5OS
Molecular Weight446.37 g/mol
Exact Mass445.06
IUPAC NameN-[4-[2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]phenyl]butanamide;hydrobromide
SMILESBr.CCCC(=O)Nc1ccc(-c2csc(N/N=C\c3ccncc3)n2)cc1
InChIInChI=1S/C19H19N5OS.BrH/c1-2-3-18(25)22-16-6-4-15(5-7-16)17-13-26-19(23-17)24-21-12-14-8-10-20-11-9-14;/h4-13H,2-3H2,1H3,(H,22,25)(H,23,24);1H/b21-12-;
InChIKeyGFTJPDIIBWKVHE-SDKPGJOKSA-N
XLogP4.97
TPSA79.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.37
LogP ≤ 54.97
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]phenyl]butanamide;hydrobromide?
The IUPAC name of N-[4-[2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]phenyl]butanamide;hydrobromide (CID 44655640) is N-[4-[2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]phenyl]butanamide;hydrobromide.
What is the SMILES notation for N-[4-[2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]phenyl]butanamide;hydrobromide?
The canonical SMILES for N-[4-[2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]phenyl]butanamide;hydrobromide is Br.CCCC(=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]butanamide;hydrobromide?
The InChIKey is GFTJPDIIBWKVHE-SDKPGJOKSA-N. The full InChI is InChI=1S/C19H19N5OS.BrH/c1-2-3-18(25)22-16-6-4-15(5-7-16)17-13-26-19(23-17)24-21-12-14-8-10-20-11-9-14;/h4-13H,2-3H2,1H3,(H,22,25)(H,23,24);1H/b21-12-;.
What are the key properties of N-[4-[2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]phenyl]butanamide;hydrobromide?
N-[4-[2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]phenyl]butanamide;hydrobromide has a molecular weight of 446.37 g/mol, XLogP of 4.97, 7 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]butanamide;hydrobromide is sourced from PubChem (CID 44655640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).