N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-3-[(2-phenylacetyl)amino]propanamide

C19H20N4O2S — CID 43054265

IUPACN-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-3-[(2-phenylacetyl)amino]propanamide
SMILESCn1/c(=N/NC(=O)CCNC(=O)Cc2ccccc2)sc2ccccc21
InChIInChI=1S/C19H20N4O2S/c1-23-15-9-5-6-10-16(15)26-19(23)22-21-17(24)11-12-20-18(25)13-14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H,20,25)(H,21,24)/b22-19-
InChIKeyKMIARJKOLUBKPZ-QOCHGBHMSA-N
MW368.46 g/mol
LogP1.92
Rot. Bonds6

About N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-3-[(2-phenylacetyl)amino]propanamide

N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-3-[(2-phenylacetyl)amino]propanamide (PubChem CID 43054265) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-3-[(2-phenylacetyl)amino]propanamide.

Molecular Properties

Compound NameN-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-3-[(2-phenylacetyl)amino]propanamide
PubChem CID43054265
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC NameN-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-3-[(2-phenylacetyl)amino]propanamide
SMILESCn1/c(=N/NC(=O)CCNC(=O)Cc2ccccc2)sc2ccccc21
InChIInChI=1S/C19H20N4O2S/c1-23-15-9-5-6-10-16(15)26-19(23)22-21-17(24)11-12-20-18(25)13-14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H,20,25)(H,21,24)/b22-19-
InChIKeyKMIARJKOLUBKPZ-QOCHGBHMSA-N
XLogP1.92
TPSA75.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 51.92
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

3-methyl-N-[3-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazinyl]-3-oxopropyl]benzamide
CID 42989923
2,4-difluoro-N-[3-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazinyl]-3-oxopropyl]benzamide
CID 43054267
2-(benzylcarbamoylamino)-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide
CID 46560431
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
N-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-propylsulfonylacetamide
CID 76869138
N-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]-3-(4-nitropyrazol-1-yl)propanamide
CID 76869184
2-fluoro-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzamide
CID 6900936
2-bromo-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzamide
CID 6900940
N-[(1-methylbenzimidazol-2-yl)methyl]-3-[(2-phenylacetyl)amino]propanamide
CID 134012185
[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]thiourea
CID 5407964
[(3-methyl-1,3-benzothiazol-2-ylidene)amino]thiourea
CID 798473

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-3-[(2-phenylacetyl)amino]propanamide?
The IUPAC name of N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-3-[(2-phenylacetyl)amino]propanamide (CID 43054265) is N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-3-[(2-phenylacetyl)amino]propanamide.
What is the SMILES notation for N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-3-[(2-phenylacetyl)amino]propanamide?
The canonical SMILES for N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-3-[(2-phenylacetyl)amino]propanamide is Cn1/c(=N/NC(=O)CCNC(=O)Cc2ccccc2)sc2ccccc21.
What is the InChIKey of N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-3-[(2-phenylacetyl)amino]propanamide?
The InChIKey is KMIARJKOLUBKPZ-QOCHGBHMSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-23-15-9-5-6-10-16(15)26-19(23)22-21-17(24)11-12-20-18(25)13-14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H,20,25)(H,21,24)/b22-19-.
What are the key properties of N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-3-[(2-phenylacetyl)amino]propanamide?
N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-3-[(2-phenylacetyl)amino]propanamide has a molecular weight of 368.46 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-3-[(2-phenylacetyl)amino]propanamide is sourced from PubChem (CID 43054265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).