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

C16H15F3N6O3S — CID 122588989

IUPACN-[5-(1,3-dimethylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide
SMILESCOc1ncnc(OC)c1C(=O)Nc1nc(C(F)(F)F)c(-c2cn(C)nc2C)s1
InChIInChI=1S/C16H15F3N6O3S/c1-7-8(5-25(2)24-7)10-11(16(17,18)19)22-15(29-10)23-12(26)9-13(27-3)20-6-21-14(9)28-4/h5-6H,1-4H3,(H,22,23,26)
InChIKeyHPOWYTIMHWHYTD-UHFFFAOYSA-N
MW428.40 g/mol
LogP2.93
Rot. Bonds5

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

N-[5-(1,3-dimethylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide (PubChem CID 122588989) has the molecular formula C16H15F3N6O3S and a molecular weight of 428.40 g/mol. Its IUPAC name is N-[5-(1,3-dimethylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[5-(1,3-dimethylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide
PubChem CID122588989
Molecular FormulaC16H15F3N6O3S
Molecular Weight428.40 g/mol
Exact Mass428.09
IUPAC NameN-[5-(1,3-dimethylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide
SMILESCOc1ncnc(OC)c1C(=O)Nc1nc(C(F)(F)F)c(-c2cn(C)nc2C)s1
InChIInChI=1S/C16H15F3N6O3S/c1-7-8(5-25(2)24-7)10-11(16(17,18)19)22-15(29-10)23-12(26)9-13(27-3)20-6-21-14(9)28-4/h5-6H,1-4H3,(H,22,23,26)
InChIKeyHPOWYTIMHWHYTD-UHFFFAOYSA-N
XLogP2.93
TPSA104.05 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1,3-dimethylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide?
The IUPAC name of N-[5-(1,3-dimethylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide (CID 122588989) is N-[5-(1,3-dimethylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide.
What is the SMILES notation for N-[5-(1,3-dimethylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide?
The canonical SMILES for N-[5-(1,3-dimethylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide is COc1ncnc(OC)c1C(=O)Nc1nc(C(F)(F)F)c(-c2cn(C)nc2C)s1.
What is the InChIKey of N-[5-(1,3-dimethylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide?
The InChIKey is HPOWYTIMHWHYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N6O3S/c1-7-8(5-25(2)24-7)10-11(16(17,18)19)22-15(29-10)23-12(26)9-13(27-3)20-6-21-14(9)28-4/h5-6H,1-4H3,(H,22,23,26).
What are the key properties of N-[5-(1,3-dimethylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide?
N-[5-(1,3-dimethylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide has a molecular weight of 428.40 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,3-dimethylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide is sourced from PubChem (CID 122588989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).