4,6-dimethoxy-N-[4-(trifluoromethyl)-5-[5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-yl]pyrimidine-5-carboxamide

C17H11F6N5O3S — CID 122589039

IUPAC4,6-dimethoxy-N-[4-(trifluoromethyl)-5-[5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-yl]pyrimidine-5-carboxamide
SMILESCOc1ncnc(OC)c1C(=O)Nc1nc(C(F)(F)F)c(-c2cncc(C(F)(F)F)c2)s1
InChIInChI=1S/C17H11F6N5O3S/c1-30-13-9(14(31-2)26-6-25-13)12(29)28-15-27-11(17(21,22)23)10(32-15)7-3-8(5-24-4-7)16(18,19)20/h3-6H,1-2H3,(H,27,28,29)
InChIKeyQQUJRURVUBATSX-UHFFFAOYSA-N
MW479.36 g/mol
LogP4.30
Rot. Bonds5

About 4,6-dimethoxy-N-[4-(trifluoromethyl)-5-[5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-yl]pyrimidine-5-carboxamide

4,6-dimethoxy-N-[4-(trifluoromethyl)-5-[5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-yl]pyrimidine-5-carboxamide (PubChem CID 122589039) has the molecular formula C17H11F6N5O3S and a molecular weight of 479.36 g/mol. Its IUPAC name is 4,6-dimethoxy-N-[4-(trifluoromethyl)-5-[5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4,6-dimethoxy-N-[4-(trifluoromethyl)-5-[5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-yl]pyrimidine-5-carboxamide
PubChem CID122589039
Molecular FormulaC17H11F6N5O3S
Molecular Weight479.36 g/mol
Exact Mass479.05
IUPAC Name4,6-dimethoxy-N-[4-(trifluoromethyl)-5-[5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-yl]pyrimidine-5-carboxamide
SMILESCOc1ncnc(OC)c1C(=O)Nc1nc(C(F)(F)F)c(-c2cncc(C(F)(F)F)c2)s1
InChIInChI=1S/C17H11F6N5O3S/c1-30-13-9(14(31-2)26-6-25-13)12(29)28-15-27-11(17(21,22)23)10(32-15)7-3-8(5-24-4-7)16(18,19)20/h3-6H,1-2H3,(H,27,28,29)
InChIKeyQQUJRURVUBATSX-UHFFFAOYSA-N
XLogP4.30
TPSA99.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.36
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4,6-dimethoxy-N-[4-(trifluoromethyl)-5-[2-(trifluoromethyl)-4-pyridinyl]-1,3-thiazol-2-yl]pyrimidine-5-carboxamide
CID 122588969
N-[5-(2-cyclopropylpyrimidin-5-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide
CID 122589006
N-[5-(3-cyanophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide
CID 122589098
N-[5-[2-(2-cyanopropan-2-yl)-4-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide
CID 122589101
N-[5-(1,3-dimethylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide
CID 122588989
N-[5-[2-(1-cyanocyclopropyl)-4-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide
CID 122589016
N-[5-furo[3,2-b]pyridin-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide
CID 122589108
4,6-dimethoxy-N-[5-(3-methoxypropyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide
CID 135312681
N-[5-(1,3-dioxan-2-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide
CID 122589029
N-[5-[5-(1-cyanocyclopropyl)-2-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide
CID 122589002
4,6-dimethoxy-N-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-yl]pyrimidine-5-carboxamide
CID 122589081
4,6-diethoxy-N-[5-ethyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide
CID 135312690

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-N-[4-(trifluoromethyl)-5-[5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-yl]pyrimidine-5-carboxamide?
The IUPAC name of 4,6-dimethoxy-N-[4-(trifluoromethyl)-5-[5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-yl]pyrimidine-5-carboxamide (CID 122589039) is 4,6-dimethoxy-N-[4-(trifluoromethyl)-5-[5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for 4,6-dimethoxy-N-[4-(trifluoromethyl)-5-[5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-yl]pyrimidine-5-carboxamide?
The canonical SMILES for 4,6-dimethoxy-N-[4-(trifluoromethyl)-5-[5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-yl]pyrimidine-5-carboxamide is COc1ncnc(OC)c1C(=O)Nc1nc(C(F)(F)F)c(-c2cncc(C(F)(F)F)c2)s1.
What is the InChIKey of 4,6-dimethoxy-N-[4-(trifluoromethyl)-5-[5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-yl]pyrimidine-5-carboxamide?
The InChIKey is QQUJRURVUBATSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F6N5O3S/c1-30-13-9(14(31-2)26-6-25-13)12(29)28-15-27-11(17(21,22)23)10(32-15)7-3-8(5-24-4-7)16(18,19)20/h3-6H,1-2H3,(H,27,28,29).
What are the key properties of 4,6-dimethoxy-N-[4-(trifluoromethyl)-5-[5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-yl]pyrimidine-5-carboxamide?
4,6-dimethoxy-N-[4-(trifluoromethyl)-5-[5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-yl]pyrimidine-5-carboxamide has a molecular weight of 479.36 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-N-[4-(trifluoromethyl)-5-[5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 122589039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).