N-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylacetamide

C21H20ClN3O2S2 — CID 3512616

IUPACN-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylacetamide
SMILESCn1/c(=N/C(=O)CSCC(=O)N2CCCc3ccccc32)sc2cc(Cl)ccc21
InChIInChI=1S/C21H20ClN3O2S2/c1-24-17-9-8-15(22)11-18(17)29-21(24)23-19(26)12-28-13-20(27)25-10-4-6-14-5-2-3-7-16(14)25/h2-3,5,7-9,11H,4,6,10,12-13H2,1H3/b23-21-
InChIKeyRCDWQKKLOVMXOD-LNVKXUELSA-N
MW446.00 g/mol
LogP4.03
Rot. Bonds4

About N-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylacetamide

N-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylacetamide (PubChem CID 3512616) has the molecular formula C21H20ClN3O2S2 and a molecular weight of 446.00 g/mol. Its IUPAC name is N-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylacetamide
PubChem CID3512616
Molecular FormulaC21H20ClN3O2S2
Molecular Weight446.00 g/mol
Exact Mass445.07
IUPAC NameN-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylacetamide
SMILESCn1/c(=N/C(=O)CSCC(=O)N2CCCc3ccccc32)sc2cc(Cl)ccc21
InChIInChI=1S/C21H20ClN3O2S2/c1-24-17-9-8-15(22)11-18(17)29-21(24)23-19(26)12-28-13-20(27)25-10-4-6-14-5-2-3-7-16(14)25/h2-3,5,7-9,11H,4,6,10,12-13H2,1H3/b23-21-
InChIKeyRCDWQKKLOVMXOD-LNVKXUELSA-N
XLogP4.03
TPSA54.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.00
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylacetamide 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-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylacetamide
CID 4164434
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)acetamide
CID 4228592
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)acetamide
CID 3620959
N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylacetamide
CID 4083477
N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfonylacetamide
CID 4165531
ethyl 2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylacetyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylate
CID 4148578
ethyl 2-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylacetyl]imino-6-ethoxy-1,3-benzothiazol-3-yl]acetate
CID 4166766
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfonyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide
CID 3428166
N-(6-chloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfonylacetamide
CID 3420141
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-(3-ethyl-1,3-benzothiazol-2-ylidene)acetamide
CID 4156356
methyl 2-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylacetyl]imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate
CID 4219693
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide
CID 4690492

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylacetamide?
The IUPAC name of N-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylacetamide (CID 3512616) is N-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for N-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for N-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylacetamide is Cn1/c(=N/C(=O)CSCC(=O)N2CCCc3ccccc32)sc2cc(Cl)ccc21.
What is the InChIKey of N-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylacetamide?
The InChIKey is RCDWQKKLOVMXOD-LNVKXUELSA-N. The full InChI is InChI=1S/C21H20ClN3O2S2/c1-24-17-9-8-15(22)11-18(17)29-21(24)23-19(26)12-28-13-20(27)25-10-4-6-14-5-2-3-7-16(14)25/h2-3,5,7-9,11H,4,6,10,12-13H2,1H3/b23-21-.
What are the key properties of N-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylacetamide?
N-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylacetamide has a molecular weight of 446.00 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 3512616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).