N-[5-(diethylaminomethyl)-3-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-ylidene]acetamide

C17H20F3N3OS — CID 68968680

IUPACN-[5-(diethylaminomethyl)-3-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-ylidene]acetamide
SMILESCCN(CC)Cc1cn(-c2ccc(C(F)(F)F)cc2)/c(=N/C(C)=O)s1
InChIInChI=1S/C17H20F3N3OS/c1-4-22(5-2)10-15-11-23(16(25-15)21-12(3)24)14-8-6-13(7-9-14)17(18,19)20/h6-9,11H,4-5,10H2,1-3H3/b21-16-
InChIKeyQDIPMTOKLZXSBZ-PGMHBOJBSA-N
MW371.43 g/mol
LogP3.85
Rot. Bonds5

About N-[5-(diethylaminomethyl)-3-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-ylidene]acetamide

N-[5-(diethylaminomethyl)-3-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-ylidene]acetamide (PubChem CID 68968680) has the molecular formula C17H20F3N3OS and a molecular weight of 371.43 g/mol. Its IUPAC name is N-[5-(diethylaminomethyl)-3-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-ylidene]acetamide.

Molecular Properties

Compound NameN-[5-(diethylaminomethyl)-3-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-ylidene]acetamide
PubChem CID68968680
Molecular FormulaC17H20F3N3OS
Molecular Weight371.43 g/mol
Exact Mass371.13
IUPAC NameN-[5-(diethylaminomethyl)-3-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-ylidene]acetamide
SMILESCCN(CC)Cc1cn(-c2ccc(C(F)(F)F)cc2)/c(=N/C(C)=O)s1
InChIInChI=1S/C17H20F3N3OS/c1-4-22(5-2)10-15-11-23(16(25-15)21-12(3)24)14-8-6-13(7-9-14)17(18,19)20/h6-9,11H,4-5,10H2,1-3H3/b21-16-
InChIKeyQDIPMTOKLZXSBZ-PGMHBOJBSA-N
XLogP3.85
TPSA37.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylaminomethyl)-3-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-ylidene]acetamide?
The IUPAC name of N-[5-(diethylaminomethyl)-3-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-ylidene]acetamide (CID 68968680) is N-[5-(diethylaminomethyl)-3-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-ylidene]acetamide.
What is the SMILES notation for N-[5-(diethylaminomethyl)-3-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-ylidene]acetamide?
The canonical SMILES for N-[5-(diethylaminomethyl)-3-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-ylidene]acetamide is CCN(CC)Cc1cn(-c2ccc(C(F)(F)F)cc2)/c(=N/C(C)=O)s1.
What is the InChIKey of N-[5-(diethylaminomethyl)-3-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-ylidene]acetamide?
The InChIKey is QDIPMTOKLZXSBZ-PGMHBOJBSA-N. The full InChI is InChI=1S/C17H20F3N3OS/c1-4-22(5-2)10-15-11-23(16(25-15)21-12(3)24)14-8-6-13(7-9-14)17(18,19)20/h6-9,11H,4-5,10H2,1-3H3/b21-16-.
What are the key properties of N-[5-(diethylaminomethyl)-3-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-ylidene]acetamide?
N-[5-(diethylaminomethyl)-3-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-ylidene]acetamide has a molecular weight of 371.43 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylaminomethyl)-3-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-ylidene]acetamide is sourced from PubChem (CID 68968680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).