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

C20H13F3N4O2S — CID 57386877

IUPACN-[2-methyl-4-oxo-3-[3-(trifluoromethyl)phenyl]quinazolin-5-yl]-1,3-thiazole-4-carboxamide
SMILESCc1nc2cccc(NC(=O)c3cscn3)c2c(=O)n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H13F3N4O2S/c1-11-25-14-6-3-7-15(26-18(28)16-9-30-10-24-16)17(14)19(29)27(11)13-5-2-4-12(8-13)20(21,22)23/h2-10H,1H3,(H,26,28)
InChIKeyCLQWYCKAWMUCCF-UHFFFAOYSA-N
MW430.41 g/mol
LogP4.42
Rot. Bonds3

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

N-[2-methyl-4-oxo-3-[3-(trifluoromethyl)phenyl]quinazolin-5-yl]-1,3-thiazole-4-carboxamide (PubChem CID 57386877) has the molecular formula C20H13F3N4O2S and a molecular weight of 430.41 g/mol. Its IUPAC name is N-[2-methyl-4-oxo-3-[3-(trifluoromethyl)phenyl]quinazolin-5-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-4-oxo-3-[3-(trifluoromethyl)phenyl]quinazolin-5-yl]-1,3-thiazole-4-carboxamide
PubChem CID57386877
Molecular FormulaC20H13F3N4O2S
Molecular Weight430.41 g/mol
Exact Mass430.07
IUPAC NameN-[2-methyl-4-oxo-3-[3-(trifluoromethyl)phenyl]quinazolin-5-yl]-1,3-thiazole-4-carboxamide
SMILESCc1nc2cccc(NC(=O)c3cscn3)c2c(=O)n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H13F3N4O2S/c1-11-25-14-6-3-7-15(26-18(28)16-9-30-10-24-16)17(14)19(29)27(11)13-5-2-4-12(8-13)20(21,22)23/h2-10H,1H3,(H,26,28)
InChIKeyCLQWYCKAWMUCCF-UHFFFAOYSA-N
XLogP4.42
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.41
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-oxo-3-[3-(trifluoromethyl)phenyl]quinazolin-5-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-methyl-4-oxo-3-[3-(trifluoromethyl)phenyl]quinazolin-5-yl]-1,3-thiazole-4-carboxamide (CID 57386877) is N-[2-methyl-4-oxo-3-[3-(trifluoromethyl)phenyl]quinazolin-5-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-methyl-4-oxo-3-[3-(trifluoromethyl)phenyl]quinazolin-5-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-methyl-4-oxo-3-[3-(trifluoromethyl)phenyl]quinazolin-5-yl]-1,3-thiazole-4-carboxamide is Cc1nc2cccc(NC(=O)c3cscn3)c2c(=O)n1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-methyl-4-oxo-3-[3-(trifluoromethyl)phenyl]quinazolin-5-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is CLQWYCKAWMUCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N4O2S/c1-11-25-14-6-3-7-15(26-18(28)16-9-30-10-24-16)17(14)19(29)27(11)13-5-2-4-12(8-13)20(21,22)23/h2-10H,1H3,(H,26,28).
What are the key properties of N-[2-methyl-4-oxo-3-[3-(trifluoromethyl)phenyl]quinazolin-5-yl]-1,3-thiazole-4-carboxamide?
N-[2-methyl-4-oxo-3-[3-(trifluoromethyl)phenyl]quinazolin-5-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 430.41 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-oxo-3-[3-(trifluoromethyl)phenyl]quinazolin-5-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 57386877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).