N-[(3-acetyl-4-phenyl-1,3-thiazol-2-ylidene)amino]-4-methoxybenzamide

C19H17N3O3S — CID 1498013

IUPACN-[(3-acetyl-4-phenyl-1,3-thiazol-2-ylidene)amino]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NN=c2scc(-c3ccccc3)n2C(C)=O)cc1
InChIInChI=1S/C19H17N3O3S/c1-13(23)22-17(14-6-4-3-5-7-14)12-26-19(22)21-20-18(24)15-8-10-16(25-2)11-9-15/h3-12H,1-2H3,(H,20,24)
InChIKeyCYRHKOVWXYXZSB-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.13
Rot. Bonds4

About N-[(3-acetyl-4-phenyl-1,3-thiazol-2-ylidene)amino]-4-methoxybenzamide

N-[(3-acetyl-4-phenyl-1,3-thiazol-2-ylidene)amino]-4-methoxybenzamide (PubChem CID 1498013) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-[(3-acetyl-4-phenyl-1,3-thiazol-2-ylidene)amino]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(3-acetyl-4-phenyl-1,3-thiazol-2-ylidene)amino]-4-methoxybenzamide
PubChem CID1498013
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC NameN-[(3-acetyl-4-phenyl-1,3-thiazol-2-ylidene)amino]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NN=c2scc(-c3ccccc3)n2C(C)=O)cc1
InChIInChI=1S/C19H17N3O3S/c1-13(23)22-17(14-6-4-3-5-7-14)12-26-19(22)21-20-18(24)15-8-10-16(25-2)11-9-15/h3-12H,1-2H3,(H,20,24)
InChIKeyCYRHKOVWXYXZSB-UHFFFAOYSA-N
XLogP3.13
TPSA72.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-(3,4-diphenyl-1,3-thiazol-2-ylidene)amino]benzamide
CID 6245045
1-(2-methylimino-4-phenyl-1,3-thiazol-3-yl)ethanone
CID 56972521
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-phenylbenzamide
CID 5496134
N-[[3-(2-chloroacetyl)-4-(4-chlorophenyl)-1,3-thiazol-2-ylidene]amino]benzamide
CID 1498089
N-[[3-(2-chloroacetyl)-4-(4-hydroxyphenyl)-1,3-thiazol-2-ylidene]amino]benzamide
CID 1498090
4-cyano-N-[(E)-[4-(4-methoxyphenyl)-3-phenyl-1,3-thiazol-2-ylidene]amino]-1,5-diphenylpyrazole-3-carboxamide
CID 46895662
1-[[4-(4-methoxyphenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-3-phenylurea
CID 4146074
N-[1-(4-methoxyphenyl)propylideneamino]-4-phenylbenzamide
CID 5000617
N,3-bis(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-imine
CID 3743621
[3-acetyl-2-(4-methoxyphenyl)imino-1,3-thiazol-4-yl] acetate
CID 4763480
4-methoxy-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide
CID 6146501
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-pyrrol-1-ylbenzamide
CID 5412321

Frequently Asked Questions

What is the IUPAC name of N-[(3-acetyl-4-phenyl-1,3-thiazol-2-ylidene)amino]-4-methoxybenzamide?
The IUPAC name of N-[(3-acetyl-4-phenyl-1,3-thiazol-2-ylidene)amino]-4-methoxybenzamide (CID 1498013) is N-[(3-acetyl-4-phenyl-1,3-thiazol-2-ylidene)amino]-4-methoxybenzamide.
What is the SMILES notation for N-[(3-acetyl-4-phenyl-1,3-thiazol-2-ylidene)amino]-4-methoxybenzamide?
The canonical SMILES for N-[(3-acetyl-4-phenyl-1,3-thiazol-2-ylidene)amino]-4-methoxybenzamide is COc1ccc(C(=O)NN=c2scc(-c3ccccc3)n2C(C)=O)cc1.
What is the InChIKey of N-[(3-acetyl-4-phenyl-1,3-thiazol-2-ylidene)amino]-4-methoxybenzamide?
The InChIKey is CYRHKOVWXYXZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-13(23)22-17(14-6-4-3-5-7-14)12-26-19(22)21-20-18(24)15-8-10-16(25-2)11-9-15/h3-12H,1-2H3,(H,20,24).
What are the key properties of N-[(3-acetyl-4-phenyl-1,3-thiazol-2-ylidene)amino]-4-methoxybenzamide?
N-[(3-acetyl-4-phenyl-1,3-thiazol-2-ylidene)amino]-4-methoxybenzamide has a molecular weight of 367.43 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-acetyl-4-phenyl-1,3-thiazol-2-ylidene)amino]-4-methoxybenzamide is sourced from PubChem (CID 1498013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).