2-chloro-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]quinoline-4-carboxamide

C18H13ClN4OS — CID 18225855

IUPAC2-chloro-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]quinoline-4-carboxamide
SMILESCn1/c(=N/NC(=O)c2cc(Cl)nc3ccccc23)sc2ccccc21
InChIInChI=1S/C18H13ClN4OS/c1-23-14-8-4-5-9-15(14)25-18(23)22-21-17(24)12-10-16(19)20-13-7-3-2-6-11(12)13/h2-10H,1H3,(H,21,24)/b22-18-
InChIKeyDQTHNTDZEOAFSP-PYCFMQQDSA-N
MW368.85 g/mol
LogP3.69
Rot. Bonds2

About 2-chloro-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]quinoline-4-carboxamide

2-chloro-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]quinoline-4-carboxamide (PubChem CID 18225855) has the molecular formula C18H13ClN4OS and a molecular weight of 368.85 g/mol. Its IUPAC name is 2-chloro-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]quinoline-4-carboxamide
PubChem CID18225855
Molecular FormulaC18H13ClN4OS
Molecular Weight368.85 g/mol
Exact Mass368.05
IUPAC Name2-chloro-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]quinoline-4-carboxamide
SMILESCn1/c(=N/NC(=O)c2cc(Cl)nc3ccccc23)sc2ccccc21
InChIInChI=1S/C18H13ClN4OS/c1-23-14-8-4-5-9-15(14)25-18(23)22-21-17(24)12-10-16(19)20-13-7-3-2-6-11(12)13/h2-10H,1H3,(H,21,24)/b22-18-
InChIKeyDQTHNTDZEOAFSP-PYCFMQQDSA-N
XLogP3.69
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.85
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-chloro-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]quinoline-4-carboxamide 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

1-methyl-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoquinoline-4-carboxamide
CID 55756003
2,5-dichloro-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]thiophene-3-carboxamide
CID 7087730
2,3-dichloro-N-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzamide
CID 2354326
2-fluoro-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzamide
CID 6900936
2-bromo-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzamide
CID 6900940
2-methyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)quinoline-4-carboxamide
CID 7942936
5-chloro-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-(tetrazol-1-yl)benzamide
CID 46438770
2,5-dimethoxy-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzamide
CID 16556778
N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2,4-dinitrobenzamide
CID 6998819
[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]thiourea
CID 5407964
methyl 2-chloroquinoline-4-carboxylate
CID 5202936
2-[cyclopropanecarbonyl(methyl)amino]-N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzamide
CID 60550823

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]quinoline-4-carboxamide?
The IUPAC name of 2-chloro-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]quinoline-4-carboxamide (CID 18225855) is 2-chloro-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]quinoline-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]quinoline-4-carboxamide?
The canonical SMILES for 2-chloro-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]quinoline-4-carboxamide is Cn1/c(=N/NC(=O)c2cc(Cl)nc3ccccc23)sc2ccccc21.
What is the InChIKey of 2-chloro-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]quinoline-4-carboxamide?
The InChIKey is DQTHNTDZEOAFSP-PYCFMQQDSA-N. The full InChI is InChI=1S/C18H13ClN4OS/c1-23-14-8-4-5-9-15(14)25-18(23)22-21-17(24)12-10-16(19)20-13-7-3-2-6-11(12)13/h2-10H,1H3,(H,21,24)/b22-18-.
What are the key properties of 2-chloro-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]quinoline-4-carboxamide?
2-chloro-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]quinoline-4-carboxamide has a molecular weight of 368.85 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]quinoline-4-carboxamide is sourced from PubChem (CID 18225855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).