2-(4-chlorophenoxy)-N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)-2-methylpropanamide

C18H19ClN4O2S — CID 91680974

IUPAC2-(4-chlorophenoxy)-N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)-2-methylpropanamide
SMILESCc1cc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc2sc(NN)nc12
InChIInChI=1S/C18H19ClN4O2S/c1-10-8-12(9-14-15(10)22-17(23-20)26-14)21-16(24)18(2,3)25-13-6-4-11(19)5-7-13/h4-9H,20H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyBDDZMWONAMFQQJ-UHFFFAOYSA-N
MW390.90 g/mol
LogP4.34
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)-2-methylpropanamide

2-(4-chlorophenoxy)-N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)-2-methylpropanamide (PubChem CID 91680974) has the molecular formula C18H19ClN4O2S and a molecular weight of 390.90 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)-2-methylpropanamide
PubChem CID91680974
Molecular FormulaC18H19ClN4O2S
Molecular Weight390.90 g/mol
Exact Mass390.09
IUPAC Name2-(4-chlorophenoxy)-N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)-2-methylpropanamide
SMILESCc1cc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc2sc(NN)nc12
InChIInChI=1S/C18H19ClN4O2S/c1-10-8-12(9-14-15(10)22-17(23-20)26-14)21-16(24)18(2,3)25-13-6-4-11(19)5-7-13/h4-9H,20H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyBDDZMWONAMFQQJ-UHFFFAOYSA-N
XLogP4.34
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.90
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-bromo-2-hydrazinyl-1,3-benzothiazol-6-yl)-2-(4-chlorophenoxy)-2-methylpropanamide
CID 91680976
N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)-2,2-dimethylpropanamide
CID 91680364
N-(2-amino-4-ethoxy-1,3-benzothiazol-6-yl)-2-(4-chlorophenoxy)-2-methylpropanamide
CID 91680834
2-(4-chlorophenoxy)-N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 5161471
N-(2-amino-1,3-benzothiazol-6-yl)-2-(4-chlorophenoxy)-2-methylpropanamide
CID 91680717
2-(4-chlorophenoxy)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
CID 1308911
(2S)-2-(2,4-dichlorophenoxy)-N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)propanamide
CID 99966912
N-(2-amino-4-chloro-1,3-benzothiazol-6-yl)-2-(4-bromophenoxy)-2-methylpropanamide
CID 91680763
2-(4-chlorophenoxy)-N-(3,5-dimethoxyphenyl)-2-methylpropanamide
CID 848261
2-(4-chlorophenoxy)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 43980508
N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)-4-methoxybenzamide
CID 91680598
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 2-(4-chlorophenoxy)-N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)-2-methylpropanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)-2-methylpropanamide (CID 91680974) is 2-(4-chlorophenoxy)-N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)-2-methylpropanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)-2-methylpropanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)-2-methylpropanamide is Cc1cc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc2sc(NN)nc12.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)-2-methylpropanamide?
The InChIKey is BDDZMWONAMFQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2S/c1-10-8-12(9-14-15(10)22-17(23-20)26-14)21-16(24)18(2,3)25-13-6-4-11(19)5-7-13/h4-9H,20H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of 2-(4-chlorophenoxy)-N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)-2-methylpropanamide?
2-(4-chlorophenoxy)-N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)-2-methylpropanamide has a molecular weight of 390.90 g/mol, XLogP of 4.34, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)-2-methylpropanamide is sourced from PubChem (CID 91680974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).