N'-(4-tert-butyl-1,3-thiazol-2-yl)-4-chlorobenzohydrazide

C14H16ClN3OS — CID 2810212

IUPACN'-(4-tert-butyl-1,3-thiazol-2-yl)-4-chlorobenzohydrazide
SMILESCC(C)(C)c1csc(NNC(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C14H16ClN3OS/c1-14(2,3)11-8-20-13(16-11)18-17-12(19)9-4-6-10(15)7-5-9/h4-8H,1-3H3,(H,16,18)(H,17,19)
InChIKeyWCPFZGBUCMKJHI-UHFFFAOYSA-N
MW309.82 g/mol
LogP3.85
Rot. Bonds3

About N'-(4-tert-butyl-1,3-thiazol-2-yl)-4-chlorobenzohydrazide

N'-(4-tert-butyl-1,3-thiazol-2-yl)-4-chlorobenzohydrazide (PubChem CID 2810212) has the molecular formula C14H16ClN3OS and a molecular weight of 309.82 g/mol. Its IUPAC name is N'-(4-tert-butyl-1,3-thiazol-2-yl)-4-chlorobenzohydrazide.

Molecular Properties

Compound NameN'-(4-tert-butyl-1,3-thiazol-2-yl)-4-chlorobenzohydrazide
PubChem CID2810212
Molecular FormulaC14H16ClN3OS
Molecular Weight309.82 g/mol
Exact Mass309.07
IUPAC NameN'-(4-tert-butyl-1,3-thiazol-2-yl)-4-chlorobenzohydrazide
SMILESCC(C)(C)c1csc(NNC(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C14H16ClN3OS/c1-14(2,3)11-8-20-13(16-11)18-17-12(19)9-4-6-10(15)7-5-9/h4-8H,1-3H3,(H,16,18)(H,17,19)
InChIKeyWCPFZGBUCMKJHI-UHFFFAOYSA-N
XLogP3.85
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 53.85
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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Frequently Asked Questions

What is the IUPAC name of N'-(4-tert-butyl-1,3-thiazol-2-yl)-4-chlorobenzohydrazide?
The IUPAC name of N'-(4-tert-butyl-1,3-thiazol-2-yl)-4-chlorobenzohydrazide (CID 2810212) is N'-(4-tert-butyl-1,3-thiazol-2-yl)-4-chlorobenzohydrazide.
What is the SMILES notation for N'-(4-tert-butyl-1,3-thiazol-2-yl)-4-chlorobenzohydrazide?
The canonical SMILES for N'-(4-tert-butyl-1,3-thiazol-2-yl)-4-chlorobenzohydrazide is CC(C)(C)c1csc(NNC(=O)c2ccc(Cl)cc2)n1.
What is the InChIKey of N'-(4-tert-butyl-1,3-thiazol-2-yl)-4-chlorobenzohydrazide?
The InChIKey is WCPFZGBUCMKJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3OS/c1-14(2,3)11-8-20-13(16-11)18-17-12(19)9-4-6-10(15)7-5-9/h4-8H,1-3H3,(H,16,18)(H,17,19).
What are the key properties of N'-(4-tert-butyl-1,3-thiazol-2-yl)-4-chlorobenzohydrazide?
N'-(4-tert-butyl-1,3-thiazol-2-yl)-4-chlorobenzohydrazide has a molecular weight of 309.82 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-tert-butyl-1,3-thiazol-2-yl)-4-chlorobenzohydrazide is sourced from PubChem (CID 2810212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).