N-[4-[2-(2-acetylhydrazinyl)-1,3-thiazol-4-yl]phenyl]butanamide

C15H18N4O2S — CID 948613

IUPACN-[4-[2-(2-acetylhydrazinyl)-1,3-thiazol-4-yl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(-c2csc(NNC(C)=O)n2)cc1
InChIInChI=1S/C15H18N4O2S/c1-3-4-14(21)16-12-7-5-11(6-8-12)13-9-22-15(17-13)19-18-10(2)20/h5-9H,3-4H2,1-2H3,(H,16,21)(H,17,19)(H,18,20)
InChIKeyCKNSYPMYJIIGLO-UHFFFAOYSA-N
MW318.40 g/mol
LogP3.01
Rot. Bonds6

About N-[4-[2-(2-acetylhydrazinyl)-1,3-thiazol-4-yl]phenyl]butanamide

N-[4-[2-(2-acetylhydrazinyl)-1,3-thiazol-4-yl]phenyl]butanamide (PubChem CID 948613) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-[4-[2-(2-acetylhydrazinyl)-1,3-thiazol-4-yl]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-[2-(2-acetylhydrazinyl)-1,3-thiazol-4-yl]phenyl]butanamide
PubChem CID948613
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC NameN-[4-[2-(2-acetylhydrazinyl)-1,3-thiazol-4-yl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(-c2csc(NNC(C)=O)n2)cc1
InChIInChI=1S/C15H18N4O2S/c1-3-4-14(21)16-12-7-5-11(6-8-12)13-9-22-15(17-13)19-18-10(2)20/h5-9H,3-4H2,1-2H3,(H,16,21)(H,17,19)(H,18,20)
InChIKeyCKNSYPMYJIIGLO-UHFFFAOYSA-N
XLogP3.01
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-(2-acetylhydrazinyl)-1,3-thiazol-4-yl]phenyl]butanamide?
The IUPAC name of N-[4-[2-(2-acetylhydrazinyl)-1,3-thiazol-4-yl]phenyl]butanamide (CID 948613) is N-[4-[2-(2-acetylhydrazinyl)-1,3-thiazol-4-yl]phenyl]butanamide.
What is the SMILES notation for N-[4-[2-(2-acetylhydrazinyl)-1,3-thiazol-4-yl]phenyl]butanamide?
The canonical SMILES for N-[4-[2-(2-acetylhydrazinyl)-1,3-thiazol-4-yl]phenyl]butanamide is CCCC(=O)Nc1ccc(-c2csc(NNC(C)=O)n2)cc1.
What is the InChIKey of N-[4-[2-(2-acetylhydrazinyl)-1,3-thiazol-4-yl]phenyl]butanamide?
The InChIKey is CKNSYPMYJIIGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-3-4-14(21)16-12-7-5-11(6-8-12)13-9-22-15(17-13)19-18-10(2)20/h5-9H,3-4H2,1-2H3,(H,16,21)(H,17,19)(H,18,20).
What are the key properties of N-[4-[2-(2-acetylhydrazinyl)-1,3-thiazol-4-yl]phenyl]butanamide?
N-[4-[2-(2-acetylhydrazinyl)-1,3-thiazol-4-yl]phenyl]butanamide has a molecular weight of 318.40 g/mol, XLogP of 3.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-acetylhydrazinyl)-1,3-thiazol-4-yl]phenyl]butanamide is sourced from PubChem (CID 948613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).