N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]cyclopropanecarboxamide

C18H16N2O2S — CID 57393591

IUPACN-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]cyclopropanecarboxamide
SMILESCOc1ccc2nc(-c3ccc(NC(=O)C4CC4)cc3)sc2c1
InChIInChI=1S/C18H16N2O2S/c1-22-14-8-9-15-16(10-14)23-18(20-15)12-4-6-13(7-5-12)19-17(21)11-2-3-11/h4-11H,2-3H2,1H3,(H,19,21)
InChIKeyHQNBTQSCBFOIPQ-UHFFFAOYSA-N
MW324.41 g/mol
LogP4.32
Rot. Bonds4

About N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]cyclopropanecarboxamide

N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]cyclopropanecarboxamide (PubChem CID 57393591) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]cyclopropanecarboxamide
PubChem CID57393591
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC NameN-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]cyclopropanecarboxamide
SMILESCOc1ccc2nc(-c3ccc(NC(=O)C4CC4)cc3)sc2c1
InChIInChI=1S/C18H16N2O2S/c1-22-14-8-9-15-16(10-14)23-18(20-15)12-4-6-13(7-5-12)19-17(21)11-2-3-11/h4-11H,2-3H2,1H3,(H,19,21)
InChIKeyHQNBTQSCBFOIPQ-UHFFFAOYSA-N
XLogP4.32
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]acetamide
CID 46845966
N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 25187966
N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 863482
1-(4-methoxyphenyl)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]urea
CID 3635740
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)azetidine-3-carboxamide
CID 90604239
N-(6-methoxy-1,3-benzothiazol-2-yl)cyclohexanecarboxamide
CID 739502
2,2,2-trifluoro-N-[4-[(E)-2-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]ethenyl]phenyl]acetamide
CID 88927311
N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]formamide
CID 57381913
3-chloro-6-methoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-benzothiophene-2-carboxamide
CID 4514238
3-methoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
CID 1102694
N-[4-(dimethylamino)phenyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90611514
N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-4-(2,2,2-trifluoroethoxy)benzamide
CID 67311851

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]cyclopropanecarboxamide (CID 57393591) is N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]cyclopropanecarboxamide is COc1ccc2nc(-c3ccc(NC(=O)C4CC4)cc3)sc2c1.
What is the InChIKey of N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]cyclopropanecarboxamide?
The InChIKey is HQNBTQSCBFOIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-22-14-8-9-15-16(10-14)23-18(20-15)12-4-6-13(7-5-12)19-17(21)11-2-3-11/h4-11H,2-3H2,1H3,(H,19,21).
What are the key properties of N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]cyclopropanecarboxamide?
N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]cyclopropanecarboxamide has a molecular weight of 324.41 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 57393591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).