N-[(E)-[4-chloro-2-(2-methylanilino)-1,3-thiazol-5-yl]methylideneamino]furan-2-carboxamide

C16H13ClN4O2S — CID 135795534

IUPACN-[(E)-[4-chloro-2-(2-methylanilino)-1,3-thiazol-5-yl]methylideneamino]furan-2-carboxamide
SMILESCc1ccccc1Nc1nc(Cl)c(/C=N/NC(=O)c2ccco2)s1
InChIInChI=1S/C16H13ClN4O2S/c1-10-5-2-3-6-11(10)19-16-20-14(17)13(24-16)9-18-21-15(22)12-7-4-8-23-12/h2-9H,1H3,(H,19,20)(H,21,22)/b18-9+
InChIKeyVZFCCYYTGAHOJE-GIJQJNRQSA-N
MW360.83 g/mol
LogP4.21
Rot. Bonds5

About N-[(E)-[4-chloro-2-(2-methylanilino)-1,3-thiazol-5-yl]methylideneamino]furan-2-carboxamide

N-[(E)-[4-chloro-2-(2-methylanilino)-1,3-thiazol-5-yl]methylideneamino]furan-2-carboxamide (PubChem CID 135795534) has the molecular formula C16H13ClN4O2S and a molecular weight of 360.83 g/mol. Its IUPAC name is N-[(E)-[4-chloro-2-(2-methylanilino)-1,3-thiazol-5-yl]methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-[4-chloro-2-(2-methylanilino)-1,3-thiazol-5-yl]methylideneamino]furan-2-carboxamide
PubChem CID135795534
Molecular FormulaC16H13ClN4O2S
Molecular Weight360.83 g/mol
Exact Mass360.04
IUPAC NameN-[(E)-[4-chloro-2-(2-methylanilino)-1,3-thiazol-5-yl]methylideneamino]furan-2-carboxamide
SMILESCc1ccccc1Nc1nc(Cl)c(/C=N/NC(=O)c2ccco2)s1
InChIInChI=1S/C16H13ClN4O2S/c1-10-5-2-3-6-11(10)19-16-20-14(17)13(24-16)9-18-21-15(22)12-7-4-8-23-12/h2-9H,1H3,(H,19,20)(H,21,22)/b18-9+
InChIKeyVZFCCYYTGAHOJE-GIJQJNRQSA-N
XLogP4.21
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.83
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-[4-chloro-2-(2-methoxyanilino)-1,3-thiazol-5-yl]methylideneamino]-4-ethylbenzamide
CID 135795600
N-[(E)-[4-chloro-2-(2-methoxyanilino)-1,3-thiazol-5-yl]methylideneamino]-3-hydroxybenzamide
CID 135795602
N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]furan-2-carboxamide
CID 7406194
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]furan-2-carboxamide
CID 5401936
methyl 4-chloro-2-(2-methylanilino)-1,3-thiazole-5-carboxylate
CID 60823388
2-anilino-N-[(E)-[4-chloro-2-(4-methylanilino)-1,3-thiazol-5-yl]methylideneamino]acetamide
CID 135730941
N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide
CID 678532
N-[(5-methylfuran-2-yl)methylideneamino]furan-2-carboxamide
CID 668435
1-[(E)-(2-anilino-4-chloro-1,3-thiazol-5-yl)methylideneamino]-3-propan-2-ylthiourea
CID 135612521
N-[(Z)-[3-[(E)-(furan-2-carbonylhydrazinylidene)methyl]-2-hydroxy-5-methylphenyl]methylideneamino]furan-2-carboxamide
CID 135816538
N-[(Z)-(1,5-dimethylpyrrol-2-yl)methylideneamino]furan-2-carboxamide
CID 50855634
N-[(Z)-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]furan-2-carboxamide
CID 9175406

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-chloro-2-(2-methylanilino)-1,3-thiazol-5-yl]methylideneamino]furan-2-carboxamide?
The IUPAC name of N-[(E)-[4-chloro-2-(2-methylanilino)-1,3-thiazol-5-yl]methylideneamino]furan-2-carboxamide (CID 135795534) is N-[(E)-[4-chloro-2-(2-methylanilino)-1,3-thiazol-5-yl]methylideneamino]furan-2-carboxamide.
What is the SMILES notation for N-[(E)-[4-chloro-2-(2-methylanilino)-1,3-thiazol-5-yl]methylideneamino]furan-2-carboxamide?
The canonical SMILES for N-[(E)-[4-chloro-2-(2-methylanilino)-1,3-thiazol-5-yl]methylideneamino]furan-2-carboxamide is Cc1ccccc1Nc1nc(Cl)c(/C=N/NC(=O)c2ccco2)s1.
What is the InChIKey of N-[(E)-[4-chloro-2-(2-methylanilino)-1,3-thiazol-5-yl]methylideneamino]furan-2-carboxamide?
The InChIKey is VZFCCYYTGAHOJE-GIJQJNRQSA-N. The full InChI is InChI=1S/C16H13ClN4O2S/c1-10-5-2-3-6-11(10)19-16-20-14(17)13(24-16)9-18-21-15(22)12-7-4-8-23-12/h2-9H,1H3,(H,19,20)(H,21,22)/b18-9+.
What are the key properties of N-[(E)-[4-chloro-2-(2-methylanilino)-1,3-thiazol-5-yl]methylideneamino]furan-2-carboxamide?
N-[(E)-[4-chloro-2-(2-methylanilino)-1,3-thiazol-5-yl]methylideneamino]furan-2-carboxamide has a molecular weight of 360.83 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-chloro-2-(2-methylanilino)-1,3-thiazol-5-yl]methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 135795534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).