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

C18H12F3N5O4S — CID 122589108

IUPACN-[5-furo[3,2-b]pyridin-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide
SMILESCOc1ncnc(OC)c1C(=O)Nc1nc(C(F)(F)F)c(-c2cc3ncccc3o2)s1
InChIInChI=1S/C18H12F3N5O4S/c1-28-15-11(16(29-2)24-7-23-15)14(27)26-17-25-13(18(19,20)21)12(31-17)10-6-8-9(30-10)4-3-5-22-8/h3-7H,1-2H3,(H,25,26,27)
InChIKeySGVLGSCMLLXOBB-UHFFFAOYSA-N
MW451.39 g/mol
LogP4.03
Rot. Bonds5

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

N-[5-furo[3,2-b]pyridin-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide (PubChem CID 122589108) has the molecular formula C18H12F3N5O4S and a molecular weight of 451.39 g/mol. Its IUPAC name is N-[5-furo[3,2-b]pyridin-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[5-furo[3,2-b]pyridin-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide
PubChem CID122589108
Molecular FormulaC18H12F3N5O4S
Molecular Weight451.39 g/mol
Exact Mass451.06
IUPAC NameN-[5-furo[3,2-b]pyridin-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide
SMILESCOc1ncnc(OC)c1C(=O)Nc1nc(C(F)(F)F)c(-c2cc3ncccc3o2)s1
InChIInChI=1S/C18H12F3N5O4S/c1-28-15-11(16(29-2)24-7-23-15)14(27)26-17-25-13(18(19,20)21)12(31-17)10-6-8-9(30-10)4-3-5-22-8/h3-7H,1-2H3,(H,25,26,27)
InChIKeySGVLGSCMLLXOBB-UHFFFAOYSA-N
XLogP4.03
TPSA112.26 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.39
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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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-(3-cyanophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide
CID 122589098
4,6-dimethoxy-N-[4-(trifluoromethyl)-5-[5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-yl]pyrimidine-5-carboxamide
CID 122589039
N-[5-(1,3-dimethylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide
CID 122588989
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-[2-(1-cyanocyclopropyl)-4-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide
CID 122589016
N-[5-(2-cyclopropylpyrimidin-5-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide
CID 122589006
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-[5-(3-methoxypropyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide
CID 135312681
4,6-diethoxy-N-[5-ethyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide
CID 135312690
4,6-dimethoxy-N-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-yl]pyrimidine-5-carboxamide
CID 122589081

Frequently Asked Questions

What is the IUPAC name of N-[5-furo[3,2-b]pyridin-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide?
The IUPAC name of N-[5-furo[3,2-b]pyridin-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide (CID 122589108) is N-[5-furo[3,2-b]pyridin-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide.
What is the SMILES notation for N-[5-furo[3,2-b]pyridin-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide?
The canonical SMILES for N-[5-furo[3,2-b]pyridin-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide is COc1ncnc(OC)c1C(=O)Nc1nc(C(F)(F)F)c(-c2cc3ncccc3o2)s1.
What is the InChIKey of N-[5-furo[3,2-b]pyridin-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide?
The InChIKey is SGVLGSCMLLXOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N5O4S/c1-28-15-11(16(29-2)24-7-23-15)14(27)26-17-25-13(18(19,20)21)12(31-17)10-6-8-9(30-10)4-3-5-22-8/h3-7H,1-2H3,(H,25,26,27).
What are the key properties of N-[5-furo[3,2-b]pyridin-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide?
N-[5-furo[3,2-b]pyridin-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide has a molecular weight of 451.39 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-furo[3,2-b]pyridin-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide is sourced from PubChem (CID 122589108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).