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

C16H12F3N5O3S — CID 122589081

IUPAC4,6-dimethoxy-N-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-yl]pyrimidine-5-carboxamide
SMILESCOc1ncnc(OC)c1C(=O)Nc1nc(-c2ccc(C(F)(F)F)cn2)cs1
InChIInChI=1S/C16H12F3N5O3S/c1-26-13-11(14(27-2)22-7-21-13)12(25)24-15-23-10(6-28-15)9-4-3-8(5-20-9)16(17,18)19/h3-7H,1-2H3,(H,23,24,25)
InChIKeyUDEJTONRWDQTEK-UHFFFAOYSA-N
MW411.37 g/mol
LogP3.28
Rot. Bonds5

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

4,6-dimethoxy-N-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-yl]pyrimidine-5-carboxamide (PubChem CID 122589081) has the molecular formula C16H12F3N5O3S and a molecular weight of 411.37 g/mol. Its IUPAC name is 4,6-dimethoxy-N-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4,6-dimethoxy-N-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-yl]pyrimidine-5-carboxamide
PubChem CID122589081
Molecular FormulaC16H12F3N5O3S
Molecular Weight411.37 g/mol
Exact Mass411.06
IUPAC Name4,6-dimethoxy-N-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-yl]pyrimidine-5-carboxamide
SMILESCOc1ncnc(OC)c1C(=O)Nc1nc(-c2ccc(C(F)(F)F)cn2)cs1
InChIInChI=1S/C16H12F3N5O3S/c1-26-13-11(14(27-2)22-7-21-13)12(25)24-15-23-10(6-28-15)9-4-3-8(5-20-9)16(17,18)19/h3-7H,1-2H3,(H,23,24,25)
InChIKeyUDEJTONRWDQTEK-UHFFFAOYSA-N
XLogP3.28
TPSA99.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.37
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4,6-dimethoxy-N-[4-(trifluoromethyl)-5-[5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-yl]pyrimidine-5-carboxamide
CID 122589039
N-[4-(5-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]-2-(methylamino)acetamide
CID 146214695
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide
CID 30245473
4,6-dimethoxy-N-[5-(3-methoxypropyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide
CID 135312681
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide
CID 64556257
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide
CID 7948246
N-[5-(2-cyclopropylpyrimidin-5-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide
CID 122589006
N-[4-(5-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]-3-phenylimidazole-4-carboxamide
CID 176859832
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-4,6-dimethoxypyrimidine-5-carboxamide
CID 120604881
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
4-[N-methyl-4-(trifluoromethyl)anilino]sulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 139506141

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-N-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-yl]pyrimidine-5-carboxamide?
The IUPAC name of 4,6-dimethoxy-N-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-yl]pyrimidine-5-carboxamide (CID 122589081) is 4,6-dimethoxy-N-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for 4,6-dimethoxy-N-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-yl]pyrimidine-5-carboxamide?
The canonical SMILES for 4,6-dimethoxy-N-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-yl]pyrimidine-5-carboxamide is COc1ncnc(OC)c1C(=O)Nc1nc(-c2ccc(C(F)(F)F)cn2)cs1.
What is the InChIKey of 4,6-dimethoxy-N-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-yl]pyrimidine-5-carboxamide?
The InChIKey is UDEJTONRWDQTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N5O3S/c1-26-13-11(14(27-2)22-7-21-13)12(25)24-15-23-10(6-28-15)9-4-3-8(5-20-9)16(17,18)19/h3-7H,1-2H3,(H,23,24,25).
What are the key properties of 4,6-dimethoxy-N-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-yl]pyrimidine-5-carboxamide?
4,6-dimethoxy-N-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-yl]pyrimidine-5-carboxamide has a molecular weight of 411.37 g/mol, XLogP of 3.28, 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-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 122589081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).