(Z)-3-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]prop-2-en-1-ol

C18H15F3N4OS — CID 58456109

IUPAC(Z)-3-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]prop-2-en-1-ol
SMILESCc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(/C=C\CO)s2)c1
InChIInChI=1S/C18H15F3N4OS/c1-11-7-12(14-10-23-16(27-14)3-2-6-26)9-13(8-11)24-17-22-5-4-15(25-17)18(19,20)21/h2-5,7-10,26H,6H2,1H3,(H,22,24,25)/b3-2-
InChIKeyMHNPUKHHGZSVJW-IHWYPQMZSA-N
MW392.41 g/mol
LogP4.68
Rot. Bonds5

About (Z)-3-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]prop-2-en-1-ol

(Z)-3-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]prop-2-en-1-ol (PubChem CID 58456109) has the molecular formula C18H15F3N4OS and a molecular weight of 392.41 g/mol. Its IUPAC name is (Z)-3-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name(Z)-3-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]prop-2-en-1-ol
PubChem CID58456109
Molecular FormulaC18H15F3N4OS
Molecular Weight392.41 g/mol
Exact Mass392.09
IUPAC Name(Z)-3-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]prop-2-en-1-ol
SMILESCc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(/C=C\CO)s2)c1
InChIInChI=1S/C18H15F3N4OS/c1-11-7-12(14-10-23-16(27-14)3-2-6-26)9-13(8-11)24-17-22-5-4-15(25-17)18(19,20)21/h2-5,7-10,26H,6H2,1H3,(H,22,24,25)/b3-2-
InChIKeyMHNPUKHHGZSVJW-IHWYPQMZSA-N
XLogP4.68
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2,4-Dimethyl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]-2-pyrimidinamine
CID 447958
Jnj-1930942
CID 44240744
2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 36
CID 6539301
(3-Aminomethyl-phenyl)-[4-(4-methyl-2-methylamino-thiazol-5-yl)-pyrimidin-2-yl]-amine
CID 10042059
(3-Aminomethyl-phenyl)-[4-(2-ethylamino-4-methyl-thiazol-5-yl)-pyrimidin-2-yl]-amine
CID 11724828
N-(3,5-dimethylphenyl)-4-(thiazol-2-yl)pyrimidin-2-amine
CID 9856983
(2-(2-(3,5-Dimethylphenylamino)pyrimidin-4-yl)thiazol-5-yl)methanol
CID 11324412
4-(thiazol-2-yl)-N-m-tolylpyrimidin-2-amine
CID 20741385
1-(3-Methylphenyl)-2-[[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]pyrimidin-4-yl]amino]ethanol
CID 24823826
2-[[2-[3-(2-Methyl-1,3-thiazol-4-yl)anilino]pyrimidin-4-yl]amino]-1-[2-(trifluoromethyl)phenyl]ethanol
CID 44530269
2-[[2-[3-(2-Methyl-1,3-thiazol-4-yl)anilino]pyrimidin-4-yl]amino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 44530273
2-[[2-[3-(2-Methyl-1,3-thiazol-4-yl)anilino]pyrimidin-4-yl]amino]-1-[4-(trifluoromethyl)phenyl]ethanol
CID 44530283

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]prop-2-en-1-ol?
The IUPAC name of (Z)-3-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]prop-2-en-1-ol (CID 58456109) is (Z)-3-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]prop-2-en-1-ol.
What is the SMILES notation for (Z)-3-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]prop-2-en-1-ol?
The canonical SMILES for (Z)-3-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]prop-2-en-1-ol is Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(/C=C\CO)s2)c1.
What is the InChIKey of (Z)-3-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]prop-2-en-1-ol?
The InChIKey is MHNPUKHHGZSVJW-IHWYPQMZSA-N. The full InChI is InChI=1S/C18H15F3N4OS/c1-11-7-12(14-10-23-16(27-14)3-2-6-26)9-13(8-11)24-17-22-5-4-15(25-17)18(19,20)21/h2-5,7-10,26H,6H2,1H3,(H,22,24,25)/b3-2-.
What are the key properties of (Z)-3-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]prop-2-en-1-ol?
(Z)-3-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]prop-2-en-1-ol has a molecular weight of 392.41 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]prop-2-en-1-ol is sourced from PubChem (CID 58456109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).