N-[3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide

C20H18N2O2S — CID 9173830

IUPACN-[3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide
SMILESCOc1ccc(-c2csc(-c3cccc(NC(=O)C4CC4)c3)n2)cc1
InChIInChI=1S/C20H18N2O2S/c1-24-17-9-7-13(8-10-17)18-12-25-20(22-18)15-3-2-4-16(11-15)21-19(23)14-5-6-14/h2-4,7-12,14H,5-6H2,1H3,(H,21,23)
InChIKeyMUSGQAWBFRVLPG-UHFFFAOYSA-N
MW350.44 g/mol
LogP4.83
Rot. Bonds5

About N-[3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide

N-[3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide (PubChem CID 9173830) has the molecular formula C20H18N2O2S and a molecular weight of 350.44 g/mol. Its IUPAC name is N-[3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide
PubChem CID9173830
Molecular FormulaC20H18N2O2S
Molecular Weight350.44 g/mol
Exact Mass350.11
IUPAC NameN-[3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide
SMILESCOc1ccc(-c2csc(-c3cccc(NC(=O)C4CC4)c3)n2)cc1
InChIInChI=1S/C20H18N2O2S/c1-24-17-9-7-13(8-10-17)18-12-25-20(22-18)15-3-2-4-16(11-15)21-19(23)14-5-6-14/h2-4,7-12,14H,5-6H2,1H3,(H,21,23)
InChIKeyMUSGQAWBFRVLPG-UHFFFAOYSA-N
XLogP4.83
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide
CID 9173812
N-[3-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide
CID 9173855
N-[3-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide
CID 24505642
N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide
CID 108748401
N-[3-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide
CID 9173860
N-[3-[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide
CID 9173848
methyl 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzoate
CID 18613878
2-(4-methoxyphenyl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 2978424
N-[3-[4-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide
CID 9173864
N-[4-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]phenyl]propanamide
CID 122159689
2-[3-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]anilino]ethene-1,1,2-tricarbonitrile
CID 168609712
2-bromo-5-methoxy-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 122286197

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide (CID 9173830) is N-[3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide is COc1ccc(-c2csc(-c3cccc(NC(=O)C4CC4)c3)n2)cc1.
What is the InChIKey of N-[3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide?
The InChIKey is MUSGQAWBFRVLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2S/c1-24-17-9-7-13(8-10-17)18-12-25-20(22-18)15-3-2-4-16(11-15)21-19(23)14-5-6-14/h2-4,7-12,14H,5-6H2,1H3,(H,21,23).
What are the key properties of N-[3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide?
N-[3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide has a molecular weight of 350.44 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 9173830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).