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

C10H9F3N4OS — CID 68633671

IUPAC2-pyrimidin-5-yl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazole-5-carboxamide
SMILESO=C(NCC(F)(F)F)C1CN=C(c2cncnc2)S1
InChIInChI=1S/C10H9F3N4OS/c11-10(12,13)4-17-8(18)7-3-16-9(19-7)6-1-14-5-15-2-6/h1-2,5,7H,3-4H2,(H,17,18)
InChIKeyUKLZQMGKNQILIZ-UHFFFAOYSA-N
MW290.27 g/mol
LogP1.02
Rot. Bonds3

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

2-pyrimidin-5-yl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazole-5-carboxamide (PubChem CID 68633671) has the molecular formula C10H9F3N4OS and a molecular weight of 290.27 g/mol. Its IUPAC name is 2-pyrimidin-5-yl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-pyrimidin-5-yl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazole-5-carboxamide
PubChem CID68633671
Molecular FormulaC10H9F3N4OS
Molecular Weight290.27 g/mol
Exact Mass290.04
IUPAC Name2-pyrimidin-5-yl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazole-5-carboxamide
SMILESO=C(NCC(F)(F)F)C1CN=C(c2cncnc2)S1
InChIInChI=1S/C10H9F3N4OS/c11-10(12,13)4-17-8(18)7-3-16-9(19-7)6-1-14-5-15-2-6/h1-2,5,7H,3-4H2,(H,17,18)
InChIKeyUKLZQMGKNQILIZ-UHFFFAOYSA-N
XLogP1.02
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-5-yl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-pyrimidin-5-yl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazole-5-carboxamide (CID 68633671) is 2-pyrimidin-5-yl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-pyrimidin-5-yl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-pyrimidin-5-yl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazole-5-carboxamide is O=C(NCC(F)(F)F)C1CN=C(c2cncnc2)S1.
What is the InChIKey of 2-pyrimidin-5-yl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazole-5-carboxamide?
The InChIKey is UKLZQMGKNQILIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4OS/c11-10(12,13)4-17-8(18)7-3-16-9(19-7)6-1-14-5-15-2-6/h1-2,5,7H,3-4H2,(H,17,18).
What are the key properties of 2-pyrimidin-5-yl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazole-5-carboxamide?
2-pyrimidin-5-yl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazole-5-carboxamide has a molecular weight of 290.27 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-5-yl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 68633671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).