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

C16H15F3N6O3S — CID 122588982

IUPACN-[5-(1-ethylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide
SMILESCCn1cc(-c2sc(NC(=O)c3c(OC)ncnc3OC)nc2C(F)(F)F)cn1
InChIInChI=1S/C16H15F3N6O3S/c1-4-25-6-8(5-22-25)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)
InChIKeyBFADNMQFDNGRTG-UHFFFAOYSA-N
MW428.40 g/mol
LogP3.10
Rot. Bonds6

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

N-[5-(1-ethylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide (PubChem CID 122588982) has the molecular formula C16H15F3N6O3S and a molecular weight of 428.40 g/mol. Its IUPAC name is N-[5-(1-ethylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[5-(1-ethylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide
PubChem CID122588982
Molecular FormulaC16H15F3N6O3S
Molecular Weight428.40 g/mol
Exact Mass428.09
IUPAC NameN-[5-(1-ethylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide
SMILESCCn1cc(-c2sc(NC(=O)c3c(OC)ncnc3OC)nc2C(F)(F)F)cn1
InChIInChI=1S/C16H15F3N6O3S/c1-4-25-6-8(5-22-25)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)
InChIKeyBFADNMQFDNGRTG-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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Related Compounds

3-methoxy-1-methyl-N-(4-(pyridin-2-yl)thiazol-2-yl)-1H-pyrazole-4-carboxamide
CID 45503795
4,6-dimethoxy-N-[5-(pyrrolidin-1-ylmethyl)-4-[5-(trifluoromethyl)pyridin-2-yl]-1,3-thiazol-2-yl]pyrimidine-5-carboxamide
CID 122588960
4,6-dimethoxy-N-[4-(trifluoromethyl)-5-[2-(trifluoromethyl)pyridin-4-yl]-1,3-thiazol-2-yl]pyrimidine-5-carboxamide
CID 122588969
4,6-dimethoxy-N-[5-(1-propan-2-ylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide
CID 122588986
N-[5-(1,3-dimethylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide
CID 122588989
4,6-dimethoxy-N-[5-(2-methylpyridin-3-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide
CID 122588996
N-[5-(2-ethylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide
CID 122588998
N-[5-(5-fluoropyridin-3-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide
CID 122589001
N-[5-(2-cyclopropylpyrimidin-5-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide
CID 122589006
4,6-dimethoxy-N-[5-(2-morpholin-4-ylpyrimidin-5-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide
CID 122589013
[(4,6-Dimethoxypyrimidine-5-carbonyl)-[5-(1,3-dimethylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]methyl dihydrogen phosphate
CID 122589015
N-[5-(6-fluoropyridin-3-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide
CID 122589020

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-ethylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide?
The IUPAC name of N-[5-(1-ethylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide (CID 122588982) is N-[5-(1-ethylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide.
What is the SMILES notation for N-[5-(1-ethylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide?
The canonical SMILES for N-[5-(1-ethylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide is CCn1cc(-c2sc(NC(=O)c3c(OC)ncnc3OC)nc2C(F)(F)F)cn1.
What is the InChIKey of N-[5-(1-ethylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide?
The InChIKey is BFADNMQFDNGRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N6O3S/c1-4-25-6-8(5-22-25)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-(1-ethylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide?
N-[5-(1-ethylpyrazol-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 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-(1-ethylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide is sourced from PubChem (CID 122588982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).