N'-[2-(1,3-benzothiazol-2-ylamino)acetyl]-3,5-dichloro-4-methoxybenzohydrazide

C17H14Cl2N4O3S — CID 16580030

IUPACN'-[2-(1,3-benzothiazol-2-ylamino)acetyl]-3,5-dichloro-4-methoxybenzohydrazide
SMILESCOc1c(Cl)cc(C(=O)NNC(=O)CNc2nc3ccccc3s2)cc1Cl
InChIInChI=1S/C17H14Cl2N4O3S/c1-26-15-10(18)6-9(7-11(15)19)16(25)23-22-14(24)8-20-17-21-12-4-2-3-5-13(12)27-17/h2-7H,8H2,1H3,(H,20,21)(H,22,24)(H,23,25)
InChIKeyBHWZGTMVWWYDQK-UHFFFAOYSA-N
MW425.30 g/mol
LogP3.48
Rot. Bonds5

About N'-[2-(1,3-benzothiazol-2-ylamino)acetyl]-3,5-dichloro-4-methoxybenzohydrazide

N'-[2-(1,3-benzothiazol-2-ylamino)acetyl]-3,5-dichloro-4-methoxybenzohydrazide (PubChem CID 16580030) has the molecular formula C17H14Cl2N4O3S and a molecular weight of 425.30 g/mol. Its IUPAC name is N'-[2-(1,3-benzothiazol-2-ylamino)acetyl]-3,5-dichloro-4-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(1,3-benzothiazol-2-ylamino)acetyl]-3,5-dichloro-4-methoxybenzohydrazide
PubChem CID16580030
Molecular FormulaC17H14Cl2N4O3S
Molecular Weight425.30 g/mol
Exact Mass424.02
IUPAC NameN'-[2-(1,3-benzothiazol-2-ylamino)acetyl]-3,5-dichloro-4-methoxybenzohydrazide
SMILESCOc1c(Cl)cc(C(=O)NNC(=O)CNc2nc3ccccc3s2)cc1Cl
InChIInChI=1S/C17H14Cl2N4O3S/c1-26-15-10(18)6-9(7-11(15)19)16(25)23-22-14(24)8-20-17-21-12-4-2-3-5-13(12)27-17/h2-7H,8H2,1H3,(H,20,21)(H,22,24)(H,23,25)
InChIKeyBHWZGTMVWWYDQK-UHFFFAOYSA-N
XLogP3.48
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.30
LogP ≤ 53.48
H-Bond Donors ≤ 53
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'-[2-(1,3-benzothiazol-2-ylamino)acetyl]-3-methoxy-4-methylbenzohydrazide
CID 18280901
N'-[2-(1,3-benzothiazol-2-ylamino)acetyl]-3-(methoxymethyl)-1-benzofuran-2-carbohydrazide
CID 16613209
N'-[2-(1,3-benzothiazol-2-ylamino)acetyl]-2-[(4-chlorophenyl)methoxy]benzohydrazide
CID 16580026
N'-benzoyl-3,5-dichloro-4-methoxybenzohydrazide
CID 51218002
2-(1,3-benzothiazol-2-ylamino)-N-[(Z)-1-(4-methoxyphenyl)propylideneamino]acetamide
CID 9031304
1-[[2-(1,3-benzothiazol-2-ylamino)acetyl]amino]-3-(3-ethylphenyl)thiourea
CID 8562806
N-[4-[[[2-(1,3-benzothiazol-2-ylamino)acetyl]amino]carbamoyl]phenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 16601186
N'-[2-(1,3-benzothiazol-2-ylamino)acetyl]-5-phenyl-1H-pyrazole-4-carbohydrazide
CID 24684526
2-(1,3-benzothiazol-2-ylamino)-N-(2-methylpropyl)acetamide
CID 113219085
1,3-benzothiazol-2-ylmethyl 3-chloro-4,5-dimethoxybenzoate
CID 7681010
N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-chloro-4,5-dimethoxybenzamide
CID 26181544
N-(1,3-benzothiazol-2-yl)-2-chloro-4,5-dimethoxybenzamide
CID 54516374

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1,3-benzothiazol-2-ylamino)acetyl]-3,5-dichloro-4-methoxybenzohydrazide?
The IUPAC name of N'-[2-(1,3-benzothiazol-2-ylamino)acetyl]-3,5-dichloro-4-methoxybenzohydrazide (CID 16580030) is N'-[2-(1,3-benzothiazol-2-ylamino)acetyl]-3,5-dichloro-4-methoxybenzohydrazide.
What is the SMILES notation for N'-[2-(1,3-benzothiazol-2-ylamino)acetyl]-3,5-dichloro-4-methoxybenzohydrazide?
The canonical SMILES for N'-[2-(1,3-benzothiazol-2-ylamino)acetyl]-3,5-dichloro-4-methoxybenzohydrazide is COc1c(Cl)cc(C(=O)NNC(=O)CNc2nc3ccccc3s2)cc1Cl.
What is the InChIKey of N'-[2-(1,3-benzothiazol-2-ylamino)acetyl]-3,5-dichloro-4-methoxybenzohydrazide?
The InChIKey is BHWZGTMVWWYDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4O3S/c1-26-15-10(18)6-9(7-11(15)19)16(25)23-22-14(24)8-20-17-21-12-4-2-3-5-13(12)27-17/h2-7H,8H2,1H3,(H,20,21)(H,22,24)(H,23,25).
What are the key properties of N'-[2-(1,3-benzothiazol-2-ylamino)acetyl]-3,5-dichloro-4-methoxybenzohydrazide?
N'-[2-(1,3-benzothiazol-2-ylamino)acetyl]-3,5-dichloro-4-methoxybenzohydrazide has a molecular weight of 425.30 g/mol, XLogP of 3.48, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1,3-benzothiazol-2-ylamino)acetyl]-3,5-dichloro-4-methoxybenzohydrazide is sourced from PubChem (CID 16580030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).