2-(benzylcarbamoylamino)-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide

C18H19N5O2S — CID 46560431

IUPAC2-(benzylcarbamoylamino)-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide
SMILESCn1/c(=N/NC(=O)CNC(=O)NCc2ccccc2)sc2ccccc21
InChIInChI=1S/C18H19N5O2S/c1-23-14-9-5-6-10-15(14)26-18(23)22-21-16(24)12-20-17(25)19-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,21,24)(H2,19,20,25)/b22-18-
InChIKeyVUCAKLVJLCEQDP-PYCFMQQDSA-N
MW369.45 g/mol
LogP1.67
Rot. Bonds5

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

2-(benzylcarbamoylamino)-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide (PubChem CID 46560431) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is 2-(benzylcarbamoylamino)-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide.

Molecular Properties

Compound Name2-(benzylcarbamoylamino)-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide
PubChem CID46560431
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC Name2-(benzylcarbamoylamino)-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide
SMILESCn1/c(=N/NC(=O)CNC(=O)NCc2ccccc2)sc2ccccc21
InChIInChI=1S/C18H19N5O2S/c1-23-14-9-5-6-10-15(14)26-18(23)22-21-16(24)12-20-17(25)19-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,21,24)(H2,19,20,25)/b22-18-
InChIKeyVUCAKLVJLCEQDP-PYCFMQQDSA-N
XLogP1.67
TPSA87.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 51.67
H-Bond Donors ≤ 53
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
N-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-propylsulfonylacetamide
CID 76869138
[(3-methyl-1,3-benzothiazol-2-ylidene)amino]thiourea
CID 798473
3-methyl-N-[3-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazinyl]-3-oxopropyl]benzamide
CID 42989923
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide
CID 86932554
2-bromo-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzamide
CID 6900940
2-(3-bromophenoxy)-N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide
CID 7928877
N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-(4-propanoylphenoxy)acetamide
CID 7928967
N-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]-3-(4-nitropyrazol-1-yl)propanamide
CID 76869184
2,4-difluoro-N-[3-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazinyl]-3-oxopropyl]benzamide
CID 43054267
1-methyl-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoquinoline-4-carboxamide
CID 55756003
2,5-dichloro-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]thiophene-3-carboxamide
CID 7087730

Frequently Asked Questions

What is the IUPAC name of 2-(benzylcarbamoylamino)-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide?
The IUPAC name of 2-(benzylcarbamoylamino)-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide (CID 46560431) is 2-(benzylcarbamoylamino)-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide.
What is the SMILES notation for 2-(benzylcarbamoylamino)-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide?
The canonical SMILES for 2-(benzylcarbamoylamino)-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide is Cn1/c(=N/NC(=O)CNC(=O)NCc2ccccc2)sc2ccccc21.
What is the InChIKey of 2-(benzylcarbamoylamino)-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide?
The InChIKey is VUCAKLVJLCEQDP-PYCFMQQDSA-N. The full InChI is InChI=1S/C18H19N5O2S/c1-23-14-9-5-6-10-15(14)26-18(23)22-21-16(24)12-20-17(25)19-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,21,24)(H2,19,20,25)/b22-18-.
What are the key properties of 2-(benzylcarbamoylamino)-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide?
2-(benzylcarbamoylamino)-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide has a molecular weight of 369.45 g/mol, XLogP of 1.67, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylcarbamoylamino)-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide is sourced from PubChem (CID 46560431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).