4-methyl-2-pyrimidin-5-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide

C11H9F3N4OS — CID 44544586

IUPAC4-methyl-2-pyrimidin-5-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cncnc2)sc1C(=O)NCC(F)(F)F
InChIInChI=1S/C11H9F3N4OS/c1-6-8(9(19)17-4-11(12,13)14)20-10(18-6)7-2-15-5-16-3-7/h2-3,5H,4H2,1H3,(H,17,19)
InChIKeyHZYZUTHGQWWVNL-UHFFFAOYSA-N
MW302.28 g/mol
LogP2.20
Rot. Bonds3

About 4-methyl-2-pyrimidin-5-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide

4-methyl-2-pyrimidin-5-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide (PubChem CID 44544586) has the molecular formula C11H9F3N4OS and a molecular weight of 302.28 g/mol. Its IUPAC name is 4-methyl-2-pyrimidin-5-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-pyrimidin-5-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
PubChem CID44544586
Molecular FormulaC11H9F3N4OS
Molecular Weight302.28 g/mol
Exact Mass302.04
IUPAC Name4-methyl-2-pyrimidin-5-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cncnc2)sc1C(=O)NCC(F)(F)F
InChIInChI=1S/C11H9F3N4OS/c1-6-8(9(19)17-4-11(12,13)14)20-10(18-6)7-2-15-5-16-3-7/h2-3,5H,4H2,1H3,(H,17,19)
InChIKeyHZYZUTHGQWWVNL-UHFFFAOYSA-N
XLogP2.20
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-pyrimidin-5-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-pyrimidin-5-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide (CID 44544586) is 4-methyl-2-pyrimidin-5-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-pyrimidin-5-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-pyrimidin-5-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide is Cc1nc(-c2cncnc2)sc1C(=O)NCC(F)(F)F.
What is the InChIKey of 4-methyl-2-pyrimidin-5-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is HZYZUTHGQWWVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4OS/c1-6-8(9(19)17-4-11(12,13)14)20-10(18-6)7-2-15-5-16-3-7/h2-3,5H,4H2,1H3,(H,17,19).
What are the key properties of 4-methyl-2-pyrimidin-5-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
4-methyl-2-pyrimidin-5-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 302.28 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-pyrimidin-5-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 44544586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).