3-methyl-N-[3-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazinyl]-3-oxopropyl]benzamide

C19H20N4O2S — CID 42989923

IUPAC3-methyl-N-[3-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazinyl]-3-oxopropyl]benzamide
SMILESCc1cccc(C(=O)NCCC(=O)N/N=c2\sc3ccccc3n2C)c1
InChIInChI=1S/C19H20N4O2S/c1-13-6-5-7-14(12-13)18(25)20-11-10-17(24)21-22-19-23(2)15-8-3-4-9-16(15)26-19/h3-9,12H,10-11H2,1-2H3,(H,20,25)(H,21,24)/b22-19-
InChIKeyUJZKUQPBMNDTNM-QOCHGBHMSA-N
MW368.46 g/mol
LogP2.30
Rot. Bonds5

About 3-methyl-N-[3-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazinyl]-3-oxopropyl]benzamide

3-methyl-N-[3-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazinyl]-3-oxopropyl]benzamide (PubChem CID 42989923) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 3-methyl-N-[3-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazinyl]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[3-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazinyl]-3-oxopropyl]benzamide
PubChem CID42989923
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name3-methyl-N-[3-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazinyl]-3-oxopropyl]benzamide
SMILESCc1cccc(C(=O)NCCC(=O)N/N=c2\sc3ccccc3n2C)c1
InChIInChI=1S/C19H20N4O2S/c1-13-6-5-7-14(12-13)18(25)20-11-10-17(24)21-22-19-23(2)15-8-3-4-9-16(15)26-19/h3-9,12H,10-11H2,1-2H3,(H,20,25)(H,21,24)/b22-19-
InChIKeyUJZKUQPBMNDTNM-QOCHGBHMSA-N
XLogP2.30
TPSA75.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-3-[(2-phenylacetyl)amino]propanamide
CID 43054265
2-(3,4-dimethylphenyl)-N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide
CID 7928815
N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-3-(4-methylphenoxy)propanamide
CID 7928957
ethyl N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]carbamate
CID 6013283
2-fluoro-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzamide
CID 6900936
N-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-propylsulfonylacetamide
CID 76869138
2-(benzylcarbamoylamino)-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide
CID 46560431
2-(3-bromophenoxy)-N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide
CID 7928877
1-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-3-prop-2-ynylurea
CID 98433969
N-[3-(tert-butylamino)-3-oxopropyl]-3-methylbenzamide
CID 17191330
2,5-dichloro-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]thiophene-3-carboxamide
CID 7087730
2-bromo-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzamide
CID 6900940

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazinyl]-3-oxopropyl]benzamide?
The IUPAC name of 3-methyl-N-[3-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazinyl]-3-oxopropyl]benzamide (CID 42989923) is 3-methyl-N-[3-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazinyl]-3-oxopropyl]benzamide.
What is the SMILES notation for 3-methyl-N-[3-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazinyl]-3-oxopropyl]benzamide?
The canonical SMILES for 3-methyl-N-[3-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazinyl]-3-oxopropyl]benzamide is Cc1cccc(C(=O)NCCC(=O)N/N=c2\sc3ccccc3n2C)c1.
What is the InChIKey of 3-methyl-N-[3-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazinyl]-3-oxopropyl]benzamide?
The InChIKey is UJZKUQPBMNDTNM-QOCHGBHMSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-13-6-5-7-14(12-13)18(25)20-11-10-17(24)21-22-19-23(2)15-8-3-4-9-16(15)26-19/h3-9,12H,10-11H2,1-2H3,(H,20,25)(H,21,24)/b22-19-.
What are the key properties of 3-methyl-N-[3-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazinyl]-3-oxopropyl]benzamide?
3-methyl-N-[3-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazinyl]-3-oxopropyl]benzamide has a molecular weight of 368.46 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazinyl]-3-oxopropyl]benzamide is sourced from PubChem (CID 42989923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).