trans-(1S,2S)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide

C19H18N2O3S — CID 72544392

IUPACtrans-(1S,2S)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc([C@H]2C[C@@H]2C(=O)Nc2nc3ccc(OC)cc3s2)cc1
InChIInChI=1S/C19H18N2O3S/c1-23-12-5-3-11(4-6-12)14-10-15(14)18(22)21-19-20-16-8-7-13(24-2)9-17(16)25-19/h3-9,14-15H,10H2,1-2H3,(H,20,21,22)/t14-,15+/m1/s1
InChIKeyWUBDRBWEHZSUGC-CABCVRRESA-N
MW354.43 g/mol
LogP4.06
Rot. Bonds5

About trans-(1S,2S)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide

trans-(1S,2S)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 72544392) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is trans-(1S,2S)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
PubChem CID72544392
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Nametrans-(1S,2S)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc([C@H]2C[C@@H]2C(=O)Nc2nc3ccc(OC)cc3s2)cc1
InChIInChI=1S/C19H18N2O3S/c1-23-12-5-3-11(4-6-12)14-10-15(14)18(22)21-19-20-16-8-7-13(24-2)9-17(16)25-19/h3-9,14-15H,10H2,1-2H3,(H,20,21,22)/t14-,15+/m1/s1
InChIKeyWUBDRBWEHZSUGC-CABCVRRESA-N
XLogP4.06
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze trans-(1S,2S)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide with MolForge

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Related Compounds

Frentizole
CID 33334
N-(1,3-Benzothiazol-2-YL)-4-methoxybenzamide
CID 675912
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
1-(1,3-Benzothiazol-2-yl)-3-(4-methoxyphenyl)urea
CID 950701
N-(6-methoxybenzo[d]thiazol-2-yl)acetamide
CID 2306705
KY-02111
CID 8582409
N-[6-(4-fluoro-3-{2-[3-(trifluoromethyl)phenyl]acetamido}phenoxy)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
CID 138393290
US10251893, Cpd 6
CID 46926811
2-Hydroxy-N-(6-methoxy-benzothiazol-2-yl)-benzamide
CID 782771
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylbutanamide
CID 3254649
N-(1,3-benzothiazol-2-yl)-3-methoxybenzamide
CID 669445
N-(1,3-benzothiazol-2-yl)-2-methoxybenzamide
CID 708625

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide (CID 72544392) is trans-(1S,2S)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide is COc1ccc([C@H]2C[C@@H]2C(=O)Nc2nc3ccc(OC)cc3s2)cc1.
What is the InChIKey of trans-(1S,2S)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is WUBDRBWEHZSUGC-CABCVRRESA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-23-12-5-3-11(4-6-12)14-10-15(14)18(22)21-19-20-16-8-7-13(24-2)9-17(16)25-19/h3-9,14-15H,10H2,1-2H3,(H,20,21,22)/t14-,15+/m1/s1.
What are the key properties of trans-(1S,2S)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide?
trans-(1S,2S)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 354.43 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 72544392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).