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

C20H20N2O2S — CID 9344065

IUPACN-[2-[4-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]ethyl]acetamide
SMILESCOc1cccc(-c2nc(-c3ccc(CCNC(C)=O)cc3)cs2)c1
InChIInChI=1S/C20H20N2O2S/c1-14(23)21-11-10-15-6-8-16(9-7-15)19-13-25-20(22-19)17-4-3-5-18(12-17)24-2/h3-9,12-13H,10-11H2,1-2H3,(H,21,23)
InChIKeyBFQKSUFDOCNQBA-UHFFFAOYSA-N
MW352.46 g/mol
LogP4.16
Rot. Bonds6

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

N-[2-[4-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]ethyl]acetamide (PubChem CID 9344065) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-[2-[4-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]ethyl]acetamide
PubChem CID9344065
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC NameN-[2-[4-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]ethyl]acetamide
SMILESCOc1cccc(-c2nc(-c3ccc(CCNC(C)=O)cc3)cs2)c1
InChIInChI=1S/C20H20N2O2S/c1-14(23)21-11-10-15-6-8-16(9-7-15)19-13-25-20(22-19)17-4-3-5-18(12-17)24-2/h3-9,12-13H,10-11H2,1-2H3,(H,21,23)
InChIKeyBFQKSUFDOCNQBA-UHFFFAOYSA-N
XLogP4.16
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-[2-(4-methylphenyl)-1,3-thiazol-4-yl]phenyl]ethyl]acetamide
CID 9343361
2-(3-methoxyphenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
CID 16568180
N-[4-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]butanamide
CID 9356398
N-[2-[4-[2-[(2-methoxyphenyl)methylamino]-1,3-thiazol-4-yl]phenyl]ethyl]acetamide
CID 9343109
2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(2-phenylethyl)acetamide
CID 55570324
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-[[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 9343570
3,5-dimethoxy-N-[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7693515
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 1497759
2-methoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 108739717
3-[4-[4-[2-(methanesulfonamido)ethyl]phenyl]-1,3-thiazol-2-yl]benzoic acid
CID 60529021

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]ethyl]acetamide?
The IUPAC name of N-[2-[4-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]ethyl]acetamide (CID 9344065) is N-[2-[4-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]ethyl]acetamide?
The canonical SMILES for N-[2-[4-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]ethyl]acetamide is COc1cccc(-c2nc(-c3ccc(CCNC(C)=O)cc3)cs2)c1.
What is the InChIKey of N-[2-[4-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]ethyl]acetamide?
The InChIKey is BFQKSUFDOCNQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-14(23)21-11-10-15-6-8-16(9-7-15)19-13-25-20(22-19)17-4-3-5-18(12-17)24-2/h3-9,12-13H,10-11H2,1-2H3,(H,21,23).
What are the key properties of N-[2-[4-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]ethyl]acetamide?
N-[2-[4-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]ethyl]acetamide has a molecular weight of 352.46 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]ethyl]acetamide is sourced from PubChem (CID 9344065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).