N'-[(Z)-[2-(N-acetylanilino)-1,3-thiazol-4-yl]methylideneamino]-N-cyclopropyloxamide

C17H17N5O3S — CID 9352695

IUPACN'-[(Z)-[2-(N-acetylanilino)-1,3-thiazol-4-yl]methylideneamino]-N-cyclopropyloxamide
SMILESCC(=O)N(c1ccccc1)c1nc(/C=N\NC(=O)C(=O)NC2CC2)cs1
InChIInChI=1S/C17H17N5O3S/c1-11(23)22(14-5-3-2-4-6-14)17-20-13(10-26-17)9-18-21-16(25)15(24)19-12-7-8-12/h2-6,9-10,12H,7-8H2,1H3,(H,19,24)(H,21,25)/b18-9-
InChIKeyYCPIBWAPGXMMBG-NVMNQCDNSA-N
MW371.42 g/mol
LogP1.56
Rot. Bonds5

About N'-[(Z)-[2-(N-acetylanilino)-1,3-thiazol-4-yl]methylideneamino]-N-cyclopropyloxamide

N'-[(Z)-[2-(N-acetylanilino)-1,3-thiazol-4-yl]methylideneamino]-N-cyclopropyloxamide (PubChem CID 9352695) has the molecular formula C17H17N5O3S and a molecular weight of 371.42 g/mol. Its IUPAC name is N'-[(Z)-[2-(N-acetylanilino)-1,3-thiazol-4-yl]methylideneamino]-N-cyclopropyloxamide.

Molecular Properties

Compound NameN'-[(Z)-[2-(N-acetylanilino)-1,3-thiazol-4-yl]methylideneamino]-N-cyclopropyloxamide
PubChem CID9352695
Molecular FormulaC17H17N5O3S
Molecular Weight371.42 g/mol
Exact Mass371.11
IUPAC NameN'-[(Z)-[2-(N-acetylanilino)-1,3-thiazol-4-yl]methylideneamino]-N-cyclopropyloxamide
SMILESCC(=O)N(c1ccccc1)c1nc(/C=N\NC(=O)C(=O)NC2CC2)cs1
InChIInChI=1S/C17H17N5O3S/c1-11(23)22(14-5-3-2-4-6-14)17-20-13(10-26-17)9-18-21-16(25)15(24)19-12-7-8-12/h2-6,9-10,12H,7-8H2,1H3,(H,19,24)(H,21,25)/b18-9-
InChIKeyYCPIBWAPGXMMBG-NVMNQCDNSA-N
XLogP1.56
TPSA103.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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)-[2-(N-acetylanilino)-1,3-thiazol-4-yl]methylideneamino]-N-propan-2-yloxamide
CID 9351884
N-[(Z)-[2-(N-acetylanilino)-1,3-thiazol-4-yl]methylideneamino]-4-chlorobenzamide
CID 9060219
3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-(oxan-4-yl)prop-2-enamide
CID 71890280
N-[(Z)-[2-(N-acetyl-3-chloroanilino)-1,3-thiazol-4-yl]methylideneamino]acetamide
CID 9073997
N-[4-[(Z)-[[(2R)-1-methoxypropan-2-yl]carbamothioylhydrazinylidene]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 9175719
N'-[(Z)-[2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]oxamide
CID 9120876
N-[4-[(Z)-(carbamoylhydrazinylidene)methyl]-1,3-thiazol-2-yl]-N-(4-methoxyphenyl)acetamide
CID 9017330
N-[4-[(Z)-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 135824097
(E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]prop-2-enamide
CID 41295095
N-(3-chlorophenyl)-N-[4-[(Z)-(methylcarbamothioylhydrazinylidene)methyl]-1,3-thiazol-2-yl]acetamide
CID 9071789
N-[(Z)-[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]benzamide
CID 9058831
N-[4-[(E)-3-(4-methylpiperidin-1-yl)-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 26244284

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[2-(N-acetylanilino)-1,3-thiazol-4-yl]methylideneamino]-N-cyclopropyloxamide?
The IUPAC name of N'-[(Z)-[2-(N-acetylanilino)-1,3-thiazol-4-yl]methylideneamino]-N-cyclopropyloxamide (CID 9352695) is N'-[(Z)-[2-(N-acetylanilino)-1,3-thiazol-4-yl]methylideneamino]-N-cyclopropyloxamide.
What is the SMILES notation for N'-[(Z)-[2-(N-acetylanilino)-1,3-thiazol-4-yl]methylideneamino]-N-cyclopropyloxamide?
The canonical SMILES for N'-[(Z)-[2-(N-acetylanilino)-1,3-thiazol-4-yl]methylideneamino]-N-cyclopropyloxamide is CC(=O)N(c1ccccc1)c1nc(/C=N\NC(=O)C(=O)NC2CC2)cs1.
What is the InChIKey of N'-[(Z)-[2-(N-acetylanilino)-1,3-thiazol-4-yl]methylideneamino]-N-cyclopropyloxamide?
The InChIKey is YCPIBWAPGXMMBG-NVMNQCDNSA-N. The full InChI is InChI=1S/C17H17N5O3S/c1-11(23)22(14-5-3-2-4-6-14)17-20-13(10-26-17)9-18-21-16(25)15(24)19-12-7-8-12/h2-6,9-10,12H,7-8H2,1H3,(H,19,24)(H,21,25)/b18-9-.
What are the key properties of N'-[(Z)-[2-(N-acetylanilino)-1,3-thiazol-4-yl]methylideneamino]-N-cyclopropyloxamide?
N'-[(Z)-[2-(N-acetylanilino)-1,3-thiazol-4-yl]methylideneamino]-N-cyclopropyloxamide has a molecular weight of 371.42 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[2-(N-acetylanilino)-1,3-thiazol-4-yl]methylideneamino]-N-cyclopropyloxamide is sourced from PubChem (CID 9352695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).