N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)-3,4,5-trimethoxybenzamide

C17H17ClN4O4S — CID 91680619

IUPACN-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2cc(Cl)c3nc(NN)sc3c2)cc(OC)c1OC
InChIInChI=1S/C17H17ClN4O4S/c1-24-11-4-8(5-12(25-2)15(11)26-3)16(23)20-9-6-10(18)14-13(7-9)27-17(21-14)22-19/h4-7H,19H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyZWVDHPSZRKAZHG-UHFFFAOYSA-N
MW408.87 g/mol
LogP3.51
Rot. Bonds6

About N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)-3,4,5-trimethoxybenzamide

N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)-3,4,5-trimethoxybenzamide (PubChem CID 91680619) has the molecular formula C17H17ClN4O4S and a molecular weight of 408.87 g/mol. Its IUPAC name is N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)-3,4,5-trimethoxybenzamide
PubChem CID91680619
Molecular FormulaC17H17ClN4O4S
Molecular Weight408.87 g/mol
Exact Mass408.07
IUPAC NameN-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2cc(Cl)c3nc(NN)sc3c2)cc(OC)c1OC
InChIInChI=1S/C17H17ClN4O4S/c1-24-11-4-8(5-12(25-2)15(11)26-3)16(23)20-9-6-10(18)14-13(7-9)27-17(21-14)22-19/h4-7H,19H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyZWVDHPSZRKAZHG-UHFFFAOYSA-N
XLogP3.51
TPSA107.73 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.87
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)-4-methoxybenzamide
CID 91680598
N-(4-bromo-2-hydrazinyl-1,3-benzothiazol-6-yl)-3,5-dichloro-4-methoxybenzamide
CID 91680670
4-bromo-N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)benzamide
CID 91680524
N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)-3-methylbenzamide
CID 91680436
3,4,5-trimethoxy-N-[2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide
CID 5213672
N-(2-acetamido-1,3-benzothiazol-6-yl)-3,4,5-trimethoxybenzamide
CID 1120822
N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)furan-2-carboxamide
CID 91680643
N-(2-amino-4-bromo-1,3-benzothiazol-6-yl)-3,5-dichloro-4-methoxybenzamide
CID 91680662
N-(4-bromo-2-hydrazinyl-1,3-benzothiazol-6-yl)-3-methoxynaphthalene-2-carboxamide
CID 91680985
3,5-dichloro-N-(3,4,5-trimethoxyphenyl)benzamide
CID 26102136
N-(2-acetamido-1,3-benzothiazol-5-yl)-3,4,5-trimethoxybenzamide
CID 5075468
N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)-4-propan-2-ylbenzamide
CID 91680411

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)-3,4,5-trimethoxybenzamide?
The IUPAC name of N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)-3,4,5-trimethoxybenzamide (CID 91680619) is N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2cc(Cl)c3nc(NN)sc3c2)cc(OC)c1OC.
What is the InChIKey of N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)-3,4,5-trimethoxybenzamide?
The InChIKey is ZWVDHPSZRKAZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O4S/c1-24-11-4-8(5-12(25-2)15(11)26-3)16(23)20-9-6-10(18)14-13(7-9)27-17(21-14)22-19/h4-7H,19H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)-3,4,5-trimethoxybenzamide?
N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)-3,4,5-trimethoxybenzamide has a molecular weight of 408.87 g/mol, XLogP of 3.51, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 91680619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).