5-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-pyrimidin-2-one

C20H16F3N5OS — CID 89427141

IUPAC5-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC1=C(c2nc(-c3ccc(N)cc3)cs2)C(c2ccc(C(F)(F)F)nc2)NC(=O)N1
InChIInChI=1S/C20H16F3N5OS/c1-10-16(18-27-14(9-30-18)11-2-5-13(24)6-3-11)17(28-19(29)26-10)12-4-7-15(25-8-12)20(21,22)23/h2-9,17H,24H2,1H3,(H2,26,28,29)
InChIKeyIGMMFVYONMACDR-UHFFFAOYSA-N
MW431.44 g/mol
LogP4.59
Rot. Bonds3

About 5-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-pyrimidin-2-one

5-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 89427141) has the molecular formula C20H16F3N5OS and a molecular weight of 431.44 g/mol. Its IUPAC name is 5-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID89427141
Molecular FormulaC20H16F3N5OS
Molecular Weight431.44 g/mol
Exact Mass431.10
IUPAC Name5-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC1=C(c2nc(-c3ccc(N)cc3)cs2)C(c2ccc(C(F)(F)F)nc2)NC(=O)N1
InChIInChI=1S/C20H16F3N5OS/c1-10-16(18-27-14(9-30-18)11-2-5-13(24)6-3-11)17(28-19(29)26-10)12-4-7-15(25-8-12)20(21,22)23/h2-9,17H,24H2,1H3,(H2,26,28,29)
InChIKeyIGMMFVYONMACDR-UHFFFAOYSA-N
XLogP4.59
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.44
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 5-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-pyrimidin-2-one (CID 89427141) is 5-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 5-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 5-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-pyrimidin-2-one is CC1=C(c2nc(-c3ccc(N)cc3)cs2)C(c2ccc(C(F)(F)F)nc2)NC(=O)N1.
What is the InChIKey of 5-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is IGMMFVYONMACDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5OS/c1-10-16(18-27-14(9-30-18)11-2-5-13(24)6-3-11)17(28-19(29)26-10)12-4-7-15(25-8-12)20(21,22)23/h2-9,17H,24H2,1H3,(H2,26,28,29).
What are the key properties of 5-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-pyrimidin-2-one?
5-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 431.44 g/mol, XLogP of 4.59, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 89427141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).