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

C19H18ClN5OS — CID 135730941

IUPAC2-anilino-N-[(E)-[4-chloro-2-(4-methylanilino)-1,3-thiazol-5-yl]methylideneamino]acetamide
SMILESCc1ccc(Nc2nc(Cl)c(/C=N/NC(=O)CNc3ccccc3)s2)cc1
InChIInChI=1S/C19H18ClN5OS/c1-13-7-9-15(10-8-13)23-19-24-18(20)16(27-19)11-22-25-17(26)12-21-14-5-3-2-4-6-14/h2-11,21H,12H2,1H3,(H,23,24)(H,25,26)/b22-11+
InChIKeyUEXWHQHKGPGQBF-SSDVNMTOSA-N
MW399.91 g/mol
LogP4.41
Rot. Bonds7

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

2-anilino-N-[(E)-[4-chloro-2-(4-methylanilino)-1,3-thiazol-5-yl]methylideneamino]acetamide (PubChem CID 135730941) has the molecular formula C19H18ClN5OS and a molecular weight of 399.91 g/mol. Its IUPAC name is 2-anilino-N-[(E)-[4-chloro-2-(4-methylanilino)-1,3-thiazol-5-yl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-anilino-N-[(E)-[4-chloro-2-(4-methylanilino)-1,3-thiazol-5-yl]methylideneamino]acetamide
PubChem CID135730941
Molecular FormulaC19H18ClN5OS
Molecular Weight399.91 g/mol
Exact Mass399.09
IUPAC Name2-anilino-N-[(E)-[4-chloro-2-(4-methylanilino)-1,3-thiazol-5-yl]methylideneamino]acetamide
SMILESCc1ccc(Nc2nc(Cl)c(/C=N/NC(=O)CNc3ccccc3)s2)cc1
InChIInChI=1S/C19H18ClN5OS/c1-13-7-9-15(10-8-13)23-19-24-18(20)16(27-19)11-22-25-17(26)12-21-14-5-3-2-4-6-14/h2-11,21H,12H2,1H3,(H,23,24)(H,25,26)/b22-11+
InChIKeyUEXWHQHKGPGQBF-SSDVNMTOSA-N
XLogP4.41
TPSA78.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.91
LogP ≤ 54.41
H-Bond Donors ≤ 53
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'}

Analyze 2-anilino-N-[(E)-[4-chloro-2-(4-methylanilino)-1,3-thiazol-5-yl]methylideneamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-(2-anilino-4-chloro-1,3-thiazol-5-yl)methylideneamino]-2-hydroxybenzamide
CID 135730529
1-[(E)-(2-anilino-4-chloro-1,3-thiazol-5-yl)methylideneamino]-3-propan-2-ylthiourea
CID 135612521
N-(benzylideneamino)-2-(4-methylanilino)acetamide
CID 689462
N-[(E)-(2-anilino-4-chloro-1,3-thiazol-5-yl)methylideneamino]-2-(2-cyanophenoxy)acetamide
CID 135763398
1-[(E)-(2-anilino-4-chloro-1,3-thiazol-5-yl)methylideneamino]-3-(3-ethoxypropyl)thiourea
CID 135817730
2-anilino-N-[(Z)-(4-anilinophenyl)methylideneamino]acetamide
CID 7601999
N-[(4-chlorophenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 689465
2-(4-methylanilino)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
CID 5393375
4-chloro-N-(4-methylphenyl)-5-[(E)-1,2,4-triazol-4-yliminomethyl]-1,3-thiazol-2-amine
CID 135824301
N-[(2,3-dichlorophenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 872216
2-anilino-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide
CID 7638625
2-anilino-N-[(Z)-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]acetamide
CID 7933354

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[(E)-[4-chloro-2-(4-methylanilino)-1,3-thiazol-5-yl]methylideneamino]acetamide?
The IUPAC name of 2-anilino-N-[(E)-[4-chloro-2-(4-methylanilino)-1,3-thiazol-5-yl]methylideneamino]acetamide (CID 135730941) is 2-anilino-N-[(E)-[4-chloro-2-(4-methylanilino)-1,3-thiazol-5-yl]methylideneamino]acetamide.
What is the SMILES notation for 2-anilino-N-[(E)-[4-chloro-2-(4-methylanilino)-1,3-thiazol-5-yl]methylideneamino]acetamide?
The canonical SMILES for 2-anilino-N-[(E)-[4-chloro-2-(4-methylanilino)-1,3-thiazol-5-yl]methylideneamino]acetamide is Cc1ccc(Nc2nc(Cl)c(/C=N/NC(=O)CNc3ccccc3)s2)cc1.
What is the InChIKey of 2-anilino-N-[(E)-[4-chloro-2-(4-methylanilino)-1,3-thiazol-5-yl]methylideneamino]acetamide?
The InChIKey is UEXWHQHKGPGQBF-SSDVNMTOSA-N. The full InChI is InChI=1S/C19H18ClN5OS/c1-13-7-9-15(10-8-13)23-19-24-18(20)16(27-19)11-22-25-17(26)12-21-14-5-3-2-4-6-14/h2-11,21H,12H2,1H3,(H,23,24)(H,25,26)/b22-11+.
What are the key properties of 2-anilino-N-[(E)-[4-chloro-2-(4-methylanilino)-1,3-thiazol-5-yl]methylideneamino]acetamide?
2-anilino-N-[(E)-[4-chloro-2-(4-methylanilino)-1,3-thiazol-5-yl]methylideneamino]acetamide has a molecular weight of 399.91 g/mol, XLogP of 4.41, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[(E)-[4-chloro-2-(4-methylanilino)-1,3-thiazol-5-yl]methylideneamino]acetamide is sourced from PubChem (CID 135730941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).