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

C12H11F3N4OS — CID 58236231

IUPACN,4-dimethyl-2-pyrimidin-5-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cncnc2)sc1C(=O)N(C)CC(F)(F)F
InChIInChI=1S/C12H11F3N4OS/c1-7-9(11(20)19(2)5-12(13,14)15)21-10(18-7)8-3-16-6-17-4-8/h3-4,6H,5H2,1-2H3
InChIKeyHHHQIHRFRZGUAR-UHFFFAOYSA-N
MW316.31 g/mol
LogP2.54
Rot. Bonds3

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

N,4-dimethyl-2-pyrimidin-5-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide (PubChem CID 58236231) has the molecular formula C12H11F3N4OS and a molecular weight of 316.31 g/mol. Its IUPAC name is N,4-dimethyl-2-pyrimidin-5-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-2-pyrimidin-5-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
PubChem CID58236231
Molecular FormulaC12H11F3N4OS
Molecular Weight316.31 g/mol
Exact Mass316.06
IUPAC NameN,4-dimethyl-2-pyrimidin-5-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cncnc2)sc1C(=O)N(C)CC(F)(F)F
InChIInChI=1S/C12H11F3N4OS/c1-7-9(11(20)19(2)5-12(13,14)15)21-10(18-7)8-3-16-6-17-4-8/h3-4,6H,5H2,1-2H3
InChIKeyHHHQIHRFRZGUAR-UHFFFAOYSA-N
XLogP2.54
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-2-pyrimidin-5-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N,4-dimethyl-2-pyrimidin-5-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide (CID 58236231) is N,4-dimethyl-2-pyrimidin-5-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,4-dimethyl-2-pyrimidin-5-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,4-dimethyl-2-pyrimidin-5-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide is Cc1nc(-c2cncnc2)sc1C(=O)N(C)CC(F)(F)F.
What is the InChIKey of N,4-dimethyl-2-pyrimidin-5-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is HHHQIHRFRZGUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4OS/c1-7-9(11(20)19(2)5-12(13,14)15)21-10(18-7)8-3-16-6-17-4-8/h3-4,6H,5H2,1-2H3.
What are the key properties of N,4-dimethyl-2-pyrimidin-5-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
N,4-dimethyl-2-pyrimidin-5-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 316.31 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-2-pyrimidin-5-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 58236231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).