4-[4-(chloromethyl)-1,3-thiazol-2-yl]-N',N'-dimethylbenzohydrazide

C13H14ClN3OS — CID 83020344

IUPAC4-[4-(chloromethyl)-1,3-thiazol-2-yl]-N',N'-dimethylbenzohydrazide
SMILESCN(C)NC(=O)c1ccc(-c2nc(CCl)cs2)cc1
InChIInChI=1S/C13H14ClN3OS/c1-17(2)16-12(18)9-3-5-10(6-4-9)13-15-11(7-14)8-19-13/h3-6,8H,7H2,1-2H3,(H,16,18)
InChIKeyYIQJERWHBPPKHD-UHFFFAOYSA-N
MW295.80 g/mol
LogP2.76
Rot. Bonds4

About 4-[4-(chloromethyl)-1,3-thiazol-2-yl]-N',N'-dimethylbenzohydrazide

4-[4-(chloromethyl)-1,3-thiazol-2-yl]-N',N'-dimethylbenzohydrazide (PubChem CID 83020344) has the molecular formula C13H14ClN3OS and a molecular weight of 295.80 g/mol. Its IUPAC name is 4-[4-(chloromethyl)-1,3-thiazol-2-yl]-N',N'-dimethylbenzohydrazide.

Molecular Properties

Compound Name4-[4-(chloromethyl)-1,3-thiazol-2-yl]-N',N'-dimethylbenzohydrazide
PubChem CID83020344
Molecular FormulaC13H14ClN3OS
Molecular Weight295.80 g/mol
Exact Mass295.05
IUPAC Name4-[4-(chloromethyl)-1,3-thiazol-2-yl]-N',N'-dimethylbenzohydrazide
SMILESCN(C)NC(=O)c1ccc(-c2nc(CCl)cs2)cc1
InChIInChI=1S/C13H14ClN3OS/c1-17(2)16-12(18)9-3-5-10(6-4-9)13-15-11(7-14)8-19-13/h3-6,8H,7H2,1-2H3,(H,16,18)
InChIKeyYIQJERWHBPPKHD-UHFFFAOYSA-N
XLogP2.76
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.80
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-3-oxopropyl)-4-[4-(chloromethyl)-1,3-thiazol-2-yl]benzamide
CID 43553881
4-(chloromethyl)-N',N'-dimethylbenzohydrazide
CID 83011386
4-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(thiadiazol-5-yl)benzamide
CID 114913573
4-(dimethylamino)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 47093407
4-methyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7287432
methyl 2-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]acetate
CID 78913070
4-(chloromethyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole
CID 2095697
4-bromo-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7287449
N-[4-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]-3-ethoxypropanamide
CID 43320222
N-[4-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]-2-propoxyacetamide
CID 43248142
methyl 2-[[3-[4-(chloromethyl)-1,3-thiazol-2-yl]benzoyl]amino]acetate
CID 43320084
3-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2-methoxyethyl)benzamide
CID 43319999

Frequently Asked Questions

What is the IUPAC name of 4-[4-(chloromethyl)-1,3-thiazol-2-yl]-N',N'-dimethylbenzohydrazide?
The IUPAC name of 4-[4-(chloromethyl)-1,3-thiazol-2-yl]-N',N'-dimethylbenzohydrazide (CID 83020344) is 4-[4-(chloromethyl)-1,3-thiazol-2-yl]-N',N'-dimethylbenzohydrazide.
What is the SMILES notation for 4-[4-(chloromethyl)-1,3-thiazol-2-yl]-N',N'-dimethylbenzohydrazide?
The canonical SMILES for 4-[4-(chloromethyl)-1,3-thiazol-2-yl]-N',N'-dimethylbenzohydrazide is CN(C)NC(=O)c1ccc(-c2nc(CCl)cs2)cc1.
What is the InChIKey of 4-[4-(chloromethyl)-1,3-thiazol-2-yl]-N',N'-dimethylbenzohydrazide?
The InChIKey is YIQJERWHBPPKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3OS/c1-17(2)16-12(18)9-3-5-10(6-4-9)13-15-11(7-14)8-19-13/h3-6,8H,7H2,1-2H3,(H,16,18).
What are the key properties of 4-[4-(chloromethyl)-1,3-thiazol-2-yl]-N',N'-dimethylbenzohydrazide?
4-[4-(chloromethyl)-1,3-thiazol-2-yl]-N',N'-dimethylbenzohydrazide has a molecular weight of 295.80 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(chloromethyl)-1,3-thiazol-2-yl]-N',N'-dimethylbenzohydrazide is sourced from PubChem (CID 83020344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).