N-(6-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)acetamide

C13H16N2O2S — CID 7540616

IUPACN-(6-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)acetamide
SMILESCCCn1/c(=N/C(C)=O)sc2cc(OC)ccc21
InChIInChI=1S/C13H16N2O2S/c1-4-7-15-11-6-5-10(17-3)8-12(11)18-13(15)14-9(2)16/h5-6,8H,4,7H2,1-3H3/b14-13-
InChIKeyGNYQHIZQUDYTNO-YPKPFQOOSA-N
MW264.35 g/mol
LogP2.57
Rot. Bonds3

About N-(6-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)acetamide

N-(6-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)acetamide (PubChem CID 7540616) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is N-(6-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)acetamide.

Molecular Properties

Compound NameN-(6-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)acetamide
PubChem CID7540616
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC NameN-(6-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)acetamide
SMILESCCCn1/c(=N/C(C)=O)sc2cc(OC)ccc21
InChIInChI=1S/C13H16N2O2S/c1-4-7-15-11-6-5-10(17-3)8-12(11)18-13(15)14-9(2)16/h5-6,8H,4,7H2,1-3H3/b14-13-
InChIKeyGNYQHIZQUDYTNO-YPKPFQOOSA-N
XLogP2.57
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(2-acetylimino-6-methoxy-1,3-benzothiazol-3-yl)acetate
CID 4152859
3,4,5-trimethoxy-N-(6-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 7540621
2-(benzenesulfonyl)-N-(6-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)acetamide
CID 7540651
N-(6-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide
CID 43984403
N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide
CID 7540608
4-methoxy-N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43983958
N-(3-propyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)acetamide
CID 7540796
3-butoxy-N-(6-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984384
3-(4-chlorophenyl)sulfanyl-N-(6-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)propanamide
CID 43984441
N-(6-nitro-3-propyl-1,3-benzothiazol-2-ylidene)acetamide
CID 7540732
N-[3-(2-ethoxyethyl)-6-methoxy-1,3-benzothiazol-2-ylidene]propanamide
CID 5154082
N-(6-bromo-3-propyl-1,3-benzothiazol-2-ylidene)-2,4-dimethoxybenzamide
CID 43984726

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)acetamide?
The IUPAC name of N-(6-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)acetamide (CID 7540616) is N-(6-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)acetamide.
What is the SMILES notation for N-(6-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)acetamide?
The canonical SMILES for N-(6-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)acetamide is CCCn1/c(=N/C(C)=O)sc2cc(OC)ccc21.
What is the InChIKey of N-(6-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)acetamide?
The InChIKey is GNYQHIZQUDYTNO-YPKPFQOOSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-4-7-15-11-6-5-10(17-3)8-12(11)18-13(15)14-9(2)16/h5-6,8H,4,7H2,1-3H3/b14-13-.
What are the key properties of N-(6-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)acetamide?
N-(6-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)acetamide has a molecular weight of 264.35 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)acetamide is sourced from PubChem (CID 7540616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).