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

C18H17ClN2OS — CID 41001527

IUPACN-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide
SMILESCCCn1/c(=N/C(=O)Cc2ccccc2)sc2cccc(Cl)c21
InChIInChI=1S/C18H17ClN2OS/c1-2-11-21-17-14(19)9-6-10-15(17)23-18(21)20-16(22)12-13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3/b20-18-
InChIKeyJUFFODMVEZWPEO-ZZEZOPTASA-N
MW344.87 g/mol
LogP4.44
Rot. Bonds4

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

N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide (PubChem CID 41001527) has the molecular formula C18H17ClN2OS and a molecular weight of 344.87 g/mol. Its IUPAC name is N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide.

Molecular Properties

Compound NameN-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide
PubChem CID41001527
Molecular FormulaC18H17ClN2OS
Molecular Weight344.87 g/mol
Exact Mass344.08
IUPAC NameN-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide
SMILESCCCn1/c(=N/C(=O)Cc2ccccc2)sc2cccc(Cl)c21
InChIInChI=1S/C18H17ClN2OS/c1-2-11-21-17-14(19)9-6-10-15(17)23-18(21)20-16(22)12-13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3/b20-18-
InChIKeyJUFFODMVEZWPEO-ZZEZOPTASA-N
XLogP4.44
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.87
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide
CID 41001557
N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-methoxybenzamide
CID 41001431
N-(5,6-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide
CID 41048124
N-[4,6-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-phenylacetamide
CID 41202172
N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-3-fluorobenzamide
CID 41149424
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
methyl 2-(2-butanoylimino-4-chloro-1,3-benzothiazol-3-yl)acetate
CID 7153779
N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 4657833
methyl 2-[4-ethoxy-2-(2-phenylacetyl)imino-1,3-benzothiazol-3-yl]acetate
CID 7153814
4-benzylsulfanyl-N-(4-chloro-3-methyl-1,3-benzothiazol-2-ylidene)butanamide
CID 42523567
N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-2-phenoxybenzamide
CID 4192621

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide?
The IUPAC name of N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide (CID 41001527) is N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide.
What is the SMILES notation for N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide?
The canonical SMILES for N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide is CCCn1/c(=N/C(=O)Cc2ccccc2)sc2cccc(Cl)c21.
What is the InChIKey of N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide?
The InChIKey is JUFFODMVEZWPEO-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H17ClN2OS/c1-2-11-21-17-14(19)9-6-10-15(17)23-18(21)20-16(22)12-13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3/b20-18-.
What are the key properties of N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide?
N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide has a molecular weight of 344.87 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide is sourced from PubChem (CID 41001527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).