N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-(4-methylphenyl)cyclopropane-1-carboxamide

C22H22N2O2S — CID 11581668

IUPACN-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-(4-methylphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccccc1Cc1cnc(NC(=O)C2(c3ccc(C)cc3)CC2)s1
InChIInChI=1S/C22H22N2O2S/c1-15-7-9-17(10-8-15)22(11-12-22)20(25)24-21-23-14-18(27-21)13-16-5-3-4-6-19(16)26-2/h3-10,14H,11-13H2,1-2H3,(H,23,24,25)
InChIKeyPPPLPGRXBRFRLP-UHFFFAOYSA-N
MW378.50 g/mol
LogP4.72
Rot. Bonds6

About N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-(4-methylphenyl)cyclopropane-1-carboxamide

N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-(4-methylphenyl)cyclopropane-1-carboxamide (PubChem CID 11581668) has the molecular formula C22H22N2O2S and a molecular weight of 378.50 g/mol. Its IUPAC name is N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-(4-methylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-(4-methylphenyl)cyclopropane-1-carboxamide
PubChem CID11581668
Molecular FormulaC22H22N2O2S
Molecular Weight378.50 g/mol
Exact Mass378.14
IUPAC NameN-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-(4-methylphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccccc1Cc1cnc(NC(=O)C2(c3ccc(C)cc3)CC2)s1
InChIInChI=1S/C22H22N2O2S/c1-15-7-9-17(10-8-15)22(11-12-22)20(25)24-21-23-14-18(27-21)13-16-5-3-4-6-19(16)26-2/h3-10,14H,11-13H2,1-2H3,(H,23,24,25)
InChIKeyPPPLPGRXBRFRLP-UHFFFAOYSA-N
XLogP4.72
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-(4-methylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-(4-methylphenyl)cyclopropane-1-carboxamide (CID 11581668) is N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-(4-methylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-(4-methylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-(4-methylphenyl)cyclopropane-1-carboxamide is COc1ccccc1Cc1cnc(NC(=O)C2(c3ccc(C)cc3)CC2)s1.
What is the InChIKey of N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-(4-methylphenyl)cyclopropane-1-carboxamide?
The InChIKey is PPPLPGRXBRFRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2S/c1-15-7-9-17(10-8-15)22(11-12-22)20(25)24-21-23-14-18(27-21)13-16-5-3-4-6-19(16)26-2/h3-10,14H,11-13H2,1-2H3,(H,23,24,25).
What are the key properties of N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-(4-methylphenyl)cyclopropane-1-carboxamide?
N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-(4-methylphenyl)cyclopropane-1-carboxamide has a molecular weight of 378.50 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-(4-methylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 11581668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).