N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide

C19H22F3N3OS — CID 59338093

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCCN1CCCC1CNC(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C
InChIInChI=1S/C19H22F3N3OS/c1-3-25-10-4-5-15(25)11-23-17(26)16-12(2)24-18(27-16)13-6-8-14(9-7-13)19(20,21)22/h6-9,15H,3-5,10-11H2,1-2H3,(H,23,26)
InChIKeyXMLPMAOGZANYTA-UHFFFAOYSA-N
MW397.47 g/mol
LogP4.35
Rot. Bonds5

About N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 59338093) has the molecular formula C19H22F3N3OS and a molecular weight of 397.47 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
PubChem CID59338093
Molecular FormulaC19H22F3N3OS
Molecular Weight397.47 g/mol
Exact Mass397.14
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCCN1CCCC1CNC(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C
InChIInChI=1S/C19H22F3N3OS/c1-3-25-10-4-5-15(25)11-23-17(26)16-12(2)24-18(27-16)13-6-8-14(9-7-13)19(20,21)22/h6-9,15H,3-5,10-11H2,1-2H3,(H,23,26)
InChIKeyXMLPMAOGZANYTA-UHFFFAOYSA-N
XLogP4.35
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide (CID 59338093) is N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide is CCN1CCCC1CNC(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is XMLPMAOGZANYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3OS/c1-3-25-10-4-5-15(25)11-23-17(26)16-12(2)24-18(27-16)13-6-8-14(9-7-13)19(20,21)22/h6-9,15H,3-5,10-11H2,1-2H3,(H,23,26).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 397.47 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 59338093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).