N'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carbohydrazide

C17H12ClN3O3S — CID 11740089

IUPACN'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carbohydrazide
SMILESO=C(NNc1nc(-c2ccc(Cl)cc2)cs1)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H12ClN3O3S/c18-12-4-1-10(2-5-12)13-8-25-17(19-13)21-20-16(22)11-3-6-14-15(7-11)24-9-23-14/h1-8H,9H2,(H,19,21)(H,20,22)
InChIKeyRMXATTXHJHYTDJ-UHFFFAOYSA-N
MW373.82 g/mol
LogP3.95
Rot. Bonds4

About N'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carbohydrazide

N'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carbohydrazide (PubChem CID 11740089) has the molecular formula C17H12ClN3O3S and a molecular weight of 373.82 g/mol. Its IUPAC name is N'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carbohydrazide.

Molecular Properties

Compound NameN'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carbohydrazide
PubChem CID11740089
Molecular FormulaC17H12ClN3O3S
Molecular Weight373.82 g/mol
Exact Mass373.03
IUPAC NameN'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carbohydrazide
SMILESO=C(NNc1nc(-c2ccc(Cl)cc2)cs1)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H12ClN3O3S/c18-12-4-1-10(2-5-12)13-8-25-17(19-13)21-20-16(22)11-3-6-14-15(7-11)24-9-23-14/h1-8H,9H2,(H,19,21)(H,20,22)
InChIKeyRMXATTXHJHYTDJ-UHFFFAOYSA-N
XLogP3.95
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.82
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methoxybenzohydrazide
CID 1497726
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-(4-chlorophenyl)acetamide
CID 16911259
N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 110492864
N'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetohydrazide
CID 2315799
N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 4577932
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indene-5-carboxamide
CID 24569739
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)sulfanylpropanamide
CID 18573284
N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 72720049
3-chloro-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]benzamide
CID 5162316
N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 1222040
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-4-methylsulfanylbenzamide
CID 7266948
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 8504539

Frequently Asked Questions

What is the IUPAC name of N'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carbohydrazide?
The IUPAC name of N'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carbohydrazide (CID 11740089) is N'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carbohydrazide.
What is the SMILES notation for N'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carbohydrazide?
The canonical SMILES for N'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carbohydrazide is O=C(NNc1nc(-c2ccc(Cl)cc2)cs1)c1ccc2c(c1)OCO2.
What is the InChIKey of N'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carbohydrazide?
The InChIKey is RMXATTXHJHYTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O3S/c18-12-4-1-10(2-5-12)13-8-25-17(19-13)21-20-16(22)11-3-6-14-15(7-11)24-9-23-14/h1-8H,9H2,(H,19,21)(H,20,22).
What are the key properties of N'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carbohydrazide?
N'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carbohydrazide has a molecular weight of 373.82 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carbohydrazide is sourced from PubChem (CID 11740089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).