N-[5-(2-ethylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide

C16H15F3N6O3S — CID 122588998

IUPACN-[5-(2-ethylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide
SMILESCCn1nccc1-c1sc(NC(=O)c2c(OC)ncnc2OC)nc1C(F)(F)F
InChIInChI=1S/C16H15F3N6O3S/c1-4-25-8(5-6-22-25)10-11(16(17,18)19)23-15(29-10)24-12(26)9-13(27-2)20-7-21-14(9)28-3/h5-7H,4H2,1-3H3,(H,23,24,26)
InChIKeyAGZOIBJPQPYOOC-UHFFFAOYSA-N
MW428.40 g/mol
LogP3.10
Rot. Bonds6

About N-[5-(2-ethylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide

N-[5-(2-ethylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide (PubChem CID 122588998) has the molecular formula C16H15F3N6O3S and a molecular weight of 428.40 g/mol. Its IUPAC name is N-[5-(2-ethylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[5-(2-ethylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide
PubChem CID122588998
Molecular FormulaC16H15F3N6O3S
Molecular Weight428.40 g/mol
Exact Mass428.09
IUPAC NameN-[5-(2-ethylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide
SMILESCCn1nccc1-c1sc(NC(=O)c2c(OC)ncnc2OC)nc1C(F)(F)F
InChIInChI=1S/C16H15F3N6O3S/c1-4-25-8(5-6-22-25)10-11(16(17,18)19)23-15(29-10)24-12(26)9-13(27-2)20-7-21-14(9)28-3/h5-7H,4H2,1-3H3,(H,23,24,26)
InChIKeyAGZOIBJPQPYOOC-UHFFFAOYSA-N
XLogP3.10
TPSA104.05 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-ethylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide?
The IUPAC name of N-[5-(2-ethylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide (CID 122588998) is N-[5-(2-ethylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide.
What is the SMILES notation for N-[5-(2-ethylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide?
The canonical SMILES for N-[5-(2-ethylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide is CCn1nccc1-c1sc(NC(=O)c2c(OC)ncnc2OC)nc1C(F)(F)F.
What is the InChIKey of N-[5-(2-ethylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide?
The InChIKey is AGZOIBJPQPYOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N6O3S/c1-4-25-8(5-6-22-25)10-11(16(17,18)19)23-15(29-10)24-12(26)9-13(27-2)20-7-21-14(9)28-3/h5-7H,4H2,1-3H3,(H,23,24,26).
What are the key properties of N-[5-(2-ethylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide?
N-[5-(2-ethylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide has a molecular weight of 428.40 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-ethylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide is sourced from PubChem (CID 122588998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).