N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)propanamide

C11H10Cl2N2OS — CID 2150940

IUPACN-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)propanamide
SMILESCCC(=O)/N=c1\sc2cc(Cl)cc(Cl)c2n1C
InChIInChI=1S/C11H10Cl2N2OS/c1-3-9(16)14-11-15(2)10-7(13)4-6(12)5-8(10)17-11/h4-5H,3H2,1-2H3/b14-11-
InChIKeyKYADZFQZVPWIDH-KAMYIIQDSA-N
MW289.19 g/mol
LogP3.38
Rot. Bonds1

About N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)propanamide

N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)propanamide (PubChem CID 2150940) has the molecular formula C11H10Cl2N2OS and a molecular weight of 289.19 g/mol. Its IUPAC name is N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)propanamide.

Molecular Properties

Compound NameN-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)propanamide
PubChem CID2150940
Molecular FormulaC11H10Cl2N2OS
Molecular Weight289.19 g/mol
Exact Mass287.99
IUPAC NameN-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)propanamide
SMILESCCC(=O)/N=c1\sc2cc(Cl)cc(Cl)c2n1C
InChIInChI=1S/C11H10Cl2N2OS/c1-3-9(16)14-11-15(2)10-7(13)4-6(12)5-8(10)17-11/h4-5H,3H2,1-2H3/b14-11-
InChIKeyKYADZFQZVPWIDH-KAMYIIQDSA-N
XLogP3.38
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.19
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40885103
2,5-dichloro-N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-3-carboxamide
CID 4517411
N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide
CID 40885128
N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-2,5-dimethylbenzamide
CID 40885526
N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 3506442
N-[4,6-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-phenylacetamide
CID 41202172
N-(4,6-dichloro-3-ethyl-1,3-benzothiazol-2-ylidene)-2-methylbenzamide
CID 40885342
2-(4-chlorophenoxy)-N-[4,6-dichloro-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide
CID 41202828
3,5-dichloro-N-[4,6-dichloro-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 43939049
N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-morpholin-4-ylsulfonylbenzamide
CID 2159279
N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]propanamide
CID 3618878
N-[4,6-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methylpropanamide
CID 7153062

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)propanamide?
The IUPAC name of N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)propanamide (CID 2150940) is N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)propanamide.
What is the SMILES notation for N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)propanamide?
The canonical SMILES for N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)propanamide is CCC(=O)/N=c1\sc2cc(Cl)cc(Cl)c2n1C.
What is the InChIKey of N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)propanamide?
The InChIKey is KYADZFQZVPWIDH-KAMYIIQDSA-N. The full InChI is InChI=1S/C11H10Cl2N2OS/c1-3-9(16)14-11-15(2)10-7(13)4-6(12)5-8(10)17-11/h4-5H,3H2,1-2H3/b14-11-.
What are the key properties of N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)propanamide?
N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)propanamide has a molecular weight of 289.19 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)propanamide is sourced from PubChem (CID 2150940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).