N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-methoxybenzamide

C18H17ClN2O2S — CID 41001431

IUPACN-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-methoxybenzamide
SMILESCCCn1/c(=N/C(=O)c2ccccc2OC)sc2cccc(Cl)c21
InChIInChI=1S/C18H17ClN2O2S/c1-3-11-21-16-13(19)8-6-10-15(16)24-18(21)20-17(22)12-7-4-5-9-14(12)23-2/h4-10H,3,11H2,1-2H3/b20-18-
InChIKeyVFMSDKTVMDMMEZ-ZZEZOPTASA-N
MW360.87 g/mol
LogP4.52
Rot. Bonds4

About N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-methoxybenzamide

N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-methoxybenzamide (PubChem CID 41001431) has the molecular formula C18H17ClN2O2S and a molecular weight of 360.87 g/mol. Its IUPAC name is N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-methoxybenzamide.

Molecular Properties

Compound NameN-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-methoxybenzamide
PubChem CID41001431
Molecular FormulaC18H17ClN2O2S
Molecular Weight360.87 g/mol
Exact Mass360.07
IUPAC NameN-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-methoxybenzamide
SMILESCCCn1/c(=N/C(=O)c2ccccc2OC)sc2cccc(Cl)c21
InChIInChI=1S/C18H17ClN2O2S/c1-3-11-21-16-13(19)8-6-10-15(16)24-18(21)20-17(22)12-7-4-5-9-14(12)23-2/h4-10H,3,11H2,1-2H3/b20-18-
InChIKeyVFMSDKTVMDMMEZ-ZZEZOPTASA-N
XLogP4.52
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.87
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-2-phenoxybenzamide
CID 4192621
N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide
CID 41149499
2-chloro-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4187487
2-chloro-N-(4,7-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 41136983
2-chloro-N-(5,6-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 41134027
N-[4-chloro-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methylbenzamide
CID 41203162
methyl 2-[4-methoxy-2-(2-methoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate
CID 7153753
N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)naphthalene-1-carboxamide
CID 4990819
N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide
CID 41001527
3,4,5-trimethoxy-N-(4-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 7541324
N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide
CID 41001557
N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-3-fluorobenzamide
CID 41149424

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-methoxybenzamide?
The IUPAC name of N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-methoxybenzamide (CID 41001431) is N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-methoxybenzamide.
What is the SMILES notation for N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-methoxybenzamide?
The canonical SMILES for N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-methoxybenzamide is CCCn1/c(=N/C(=O)c2ccccc2OC)sc2cccc(Cl)c21.
What is the InChIKey of N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-methoxybenzamide?
The InChIKey is VFMSDKTVMDMMEZ-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H17ClN2O2S/c1-3-11-21-16-13(19)8-6-10-15(16)24-18(21)20-17(22)12-7-4-5-9-14(12)23-2/h4-10H,3,11H2,1-2H3/b20-18-.
What are the key properties of N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-methoxybenzamide?
N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-methoxybenzamide has a molecular weight of 360.87 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-methoxybenzamide is sourced from PubChem (CID 41001431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).