N-(4-ethoxy-3-pyridinyl)-4-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid

C23H23F3N4O3S — CID 161376998

IUPACN-(4-ethoxy-3-pyridinyl)-4-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid
SMILESCCOc1ccncc1Nc1nc(-c2ccc(C3=CCNCC3)cc2)cs1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H22N4OS.C2HF3O2/c1-2-26-20-9-12-23-13-18(20)24-21-25-19(14-27-21)17-5-3-15(4-6-17)16-7-10-22-11-8-16;3-2(4,5)1(6)7/h3-7,9,12-14,22H,2,8,10-11H2,1H3,(H,24,25);(H,6,7)
InChIKeyVREZHTATBOEEIF-UHFFFAOYSA-N
MW492.52 g/mol
LogP5.36
Rot. Bonds6

About N-(4-ethoxy-3-pyridinyl)-4-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid

N-(4-ethoxy-3-pyridinyl)-4-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid (PubChem CID 161376998) has the molecular formula C23H23F3N4O3S and a molecular weight of 492.52 g/mol. Its IUPAC name is N-(4-ethoxy-3-pyridinyl)-4-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(4-ethoxy-3-pyridinyl)-4-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid
PubChem CID161376998
Molecular FormulaC23H23F3N4O3S
Molecular Weight492.52 g/mol
Exact Mass492.14
IUPAC NameN-(4-ethoxy-3-pyridinyl)-4-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid
SMILESCCOc1ccncc1Nc1nc(-c2ccc(C3=CCNCC3)cc2)cs1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H22N4OS.C2HF3O2/c1-2-26-20-9-12-23-13-18(20)24-21-25-19(14-27-21)17-5-3-15(4-6-17)16-7-10-22-11-8-16;3-2(4,5)1(6)7/h3-7,9,12-14,22H,2,8,10-11H2,1H3,(H,24,25);(H,6,7)
InChIKeyVREZHTATBOEEIF-UHFFFAOYSA-N
XLogP5.36
TPSA96.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.52
LogP ≤ 55.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-ethoxy-3-pyridinyl)-4-[4-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-amine
CID 71472387
4-propan-2-yloxy-3-[[4-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3-thiazol-2-yl]amino]benzamide
CID 71472276
4-propan-2-yloxy-3-[[4-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide
CID 71472335
N-(2-ethoxyphenyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 23775568
N-[[2-ethyl-6-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 142772360
N-[3-[[4-(3,4-diethoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84565401
N-[4-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]phenyl]propanamide
CID 3891823
ethyl 3-[4-(2-anilino-1,3-thiazol-4-yl)phenoxy]-2,2-dimethylpropanoate
CID 59117283
7-ethoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 40888778
N-(5-fluoro-2-methoxyphenyl)-4-[4-(3-morpholin-4-ylpropoxy)phenyl]-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid
CID 160629065
1-(3-ethoxyphenyl)-3-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]urea
CID 69451896
ethyl 2-oxo-2-[[4-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,3-thiazol-2-yl]amino]acetate
CID 13177563

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-pyridinyl)-4-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(4-ethoxy-3-pyridinyl)-4-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid (CID 161376998) is N-(4-ethoxy-3-pyridinyl)-4-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(4-ethoxy-3-pyridinyl)-4-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(4-ethoxy-3-pyridinyl)-4-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid is CCOc1ccncc1Nc1nc(-c2ccc(C3=CCNCC3)cc2)cs1.O=C(O)C(F)(F)F.
What is the InChIKey of N-(4-ethoxy-3-pyridinyl)-4-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid?
The InChIKey is VREZHTATBOEEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4OS.C2HF3O2/c1-2-26-20-9-12-23-13-18(20)24-21-25-19(14-27-21)17-5-3-15(4-6-17)16-7-10-22-11-8-16;3-2(4,5)1(6)7/h3-7,9,12-14,22H,2,8,10-11H2,1H3,(H,24,25);(H,6,7).
What are the key properties of N-(4-ethoxy-3-pyridinyl)-4-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid?
N-(4-ethoxy-3-pyridinyl)-4-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid has a molecular weight of 492.52 g/mol, XLogP of 5.36, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-pyridinyl)-4-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 161376998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).