N-(pyridin-4-ylmethyl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide

C18H15F3N4OS — CID 27377786

IUPACN-(pyridin-4-ylmethyl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)NCc1ccncc1
InChIInChI=1S/C18H15F3N4OS/c19-18(20,21)13-2-1-3-14(8-13)24-17-25-15(11-27-17)9-16(26)23-10-12-4-6-22-7-5-12/h1-8,11H,9-10H2,(H,23,26)(H,24,25)
InChIKeyUGCBZMIAMIHRMJ-UHFFFAOYSA-N
MW392.41 g/mol
LogP4.16
Rot. Bonds6

About N-(pyridin-4-ylmethyl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide

N-(pyridin-4-ylmethyl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide (PubChem CID 27377786) has the molecular formula C18H15F3N4OS and a molecular weight of 392.41 g/mol. Its IUPAC name is N-(pyridin-4-ylmethyl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(pyridin-4-ylmethyl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide
PubChem CID27377786
Molecular FormulaC18H15F3N4OS
Molecular Weight392.41 g/mol
Exact Mass392.09
IUPAC NameN-(pyridin-4-ylmethyl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)NCc1ccncc1
InChIInChI=1S/C18H15F3N4OS/c19-18(20,21)13-2-1-3-14(8-13)24-17-25-15(11-27-17)9-16(26)23-10-12-4-6-22-7-5-12/h1-8,11H,9-10H2,(H,23,26)(H,24,25)
InChIKeyUGCBZMIAMIHRMJ-UHFFFAOYSA-N
XLogP4.16
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Stf-62247
CID 704473
N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 790259
Acetamide, N-[4-[2-(2-pyridinylamino)-4-thiazolyl]phenyl]-
CID 973066
3-Pyridinecarboxamide, N-(4-phenyl-2-thiazolyl)-
CID 203433
N-(2-ethylphenyl)-4-(pyridin-3-yl)-1,3-thiazol-2-amine
CID 746667
N-(4-Pyridin-2-yl-thiazol-2-yl)-benzamide
CID 4119262
3-[2-(Pyridin-4-yl)-1,3-thiazol-4-yl]-7-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 10126343
3-[4-(Pyridin-4-yl)-1,3-thiazol-2-yl]-1,2,3,4-tetrahydroquinazolin-2-one
CID 10403012
3-[4-(Pyridin-3-yl)-1,3-thiazol-2-yl]-1,2,3,4-tetrahydroquinazolin-2-one
CID 10425386
N-(4-Fluorophenyl)-4-(4-pyridinyl)-1,3-thiazol-2-amine
CID 667583
(4-(4-Fluorophenyl)(2,5-thiazolyl))-2-pyridylamine
CID 1092430
N,N-diethyl-N'-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,4-diamine
CID 1502838

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-4-ylmethyl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(pyridin-4-ylmethyl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide (CID 27377786) is N-(pyridin-4-ylmethyl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(pyridin-4-ylmethyl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(pyridin-4-ylmethyl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide is O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)NCc1ccncc1.
What is the InChIKey of N-(pyridin-4-ylmethyl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide?
The InChIKey is UGCBZMIAMIHRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4OS/c19-18(20,21)13-2-1-3-14(8-13)24-17-25-15(11-27-17)9-16(26)23-10-12-4-6-22-7-5-12/h1-8,11H,9-10H2,(H,23,26)(H,24,25).
What are the key properties of N-(pyridin-4-ylmethyl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide?
N-(pyridin-4-ylmethyl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide has a molecular weight of 392.41 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-4-ylmethyl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 27377786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).