N'-[(Z)-1-(1,3-benzothiazol-2-yl)ethylideneamino]-N-propan-2-yloxamide

C14H16N4O2S — CID 9352069

IUPACN'-[(Z)-1-(1,3-benzothiazol-2-yl)ethylideneamino]-N-propan-2-yloxamide
SMILESC/C(=N/NC(=O)C(=O)NC(C)C)c1nc2ccccc2s1
InChIInChI=1S/C14H16N4O2S/c1-8(2)15-12(19)13(20)18-17-9(3)14-16-10-6-4-5-7-11(10)21-14/h4-8H,1-3H3,(H,15,19)(H,18,20)/b17-9-
InChIKeyLIHWENGBFNABOX-MFOYZWKCSA-N
MW304.38 g/mol
LogP1.66
Rot. Bonds3

About N'-[(Z)-1-(1,3-benzothiazol-2-yl)ethylideneamino]-N-propan-2-yloxamide

N'-[(Z)-1-(1,3-benzothiazol-2-yl)ethylideneamino]-N-propan-2-yloxamide (PubChem CID 9352069) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is N'-[(Z)-1-(1,3-benzothiazol-2-yl)ethylideneamino]-N-propan-2-yloxamide.

Molecular Properties

Compound NameN'-[(Z)-1-(1,3-benzothiazol-2-yl)ethylideneamino]-N-propan-2-yloxamide
PubChem CID9352069
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC NameN'-[(Z)-1-(1,3-benzothiazol-2-yl)ethylideneamino]-N-propan-2-yloxamide
SMILESC/C(=N/NC(=O)C(=O)NC(C)C)c1nc2ccccc2s1
InChIInChI=1S/C14H16N4O2S/c1-8(2)15-12(19)13(20)18-17-9(3)14-16-10-6-4-5-7-11(10)21-14/h4-8H,1-3H3,(H,15,19)(H,18,20)/b17-9-
InChIKeyLIHWENGBFNABOX-MFOYZWKCSA-N
XLogP1.66
TPSA83.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-1-(1,3-benzothiazol-2-yl)ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 9030305
N-[(Z)-1-(1,3-benzothiazol-2-yl)ethylideneamino]-4-bromo-1H-pyrrole-2-carboxamide
CID 8983369
N'-[(Z)-1-(2-methoxyphenyl)ethylideneamino]-N-propan-2-yloxamide
CID 9351436
1-(1,3-benzothiazol-2-yl)-1-hydroxyiminopropan-2-one
CID 135463874
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[1-(2-hydroxyphenyl)ethylideneamino]propanamide
CID 4230731
2-[(E)-N-[[(2R)-2-(1,3-benzothiazol-2-ylsulfanyl)propanoyl]amino]-C-methylcarbonimidoyl]benzoic acid
CID 27522233
(2S)-2-amino-1-(1,3-benzothiazol-2-yl)-3-methylbutan-1-one
CID 10331599
N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]acetamide
CID 94044935
3-[(2Z)-2-[1-(1,3-benzothiazol-2-yl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135739408
2-[(2Z)-2-[1-(1,3-benzothiazol-2-yl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135739401
2-(3-methylbut-1-en-2-yl)-1,3-benzothiazole
CID 163918945
1-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-propan-2-ylthiourea
CID 7978198

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-1-(1,3-benzothiazol-2-yl)ethylideneamino]-N-propan-2-yloxamide?
The IUPAC name of N'-[(Z)-1-(1,3-benzothiazol-2-yl)ethylideneamino]-N-propan-2-yloxamide (CID 9352069) is N'-[(Z)-1-(1,3-benzothiazol-2-yl)ethylideneamino]-N-propan-2-yloxamide.
What is the SMILES notation for N'-[(Z)-1-(1,3-benzothiazol-2-yl)ethylideneamino]-N-propan-2-yloxamide?
The canonical SMILES for N'-[(Z)-1-(1,3-benzothiazol-2-yl)ethylideneamino]-N-propan-2-yloxamide is C/C(=N/NC(=O)C(=O)NC(C)C)c1nc2ccccc2s1.
What is the InChIKey of N'-[(Z)-1-(1,3-benzothiazol-2-yl)ethylideneamino]-N-propan-2-yloxamide?
The InChIKey is LIHWENGBFNABOX-MFOYZWKCSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-8(2)15-12(19)13(20)18-17-9(3)14-16-10-6-4-5-7-11(10)21-14/h4-8H,1-3H3,(H,15,19)(H,18,20)/b17-9-.
What are the key properties of N'-[(Z)-1-(1,3-benzothiazol-2-yl)ethylideneamino]-N-propan-2-yloxamide?
N'-[(Z)-1-(1,3-benzothiazol-2-yl)ethylideneamino]-N-propan-2-yloxamide has a molecular weight of 304.38 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-1-(1,3-benzothiazol-2-yl)ethylideneamino]-N-propan-2-yloxamide is sourced from PubChem (CID 9352069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).