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

C17H14F3N5O3S — CID 122588996

IUPAC4,6-dimethoxy-N-[5-(2-methyl-3-pyridinyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide
SMILESCOc1ncnc(OC)c1C(=O)Nc1nc(C(F)(F)F)c(-c2cccnc2C)s1
InChIInChI=1S/C17H14F3N5O3S/c1-8-9(5-4-6-21-8)11-12(17(18,19)20)24-16(29-11)25-13(26)10-14(27-2)22-7-23-15(10)28-3/h4-7H,1-3H3,(H,24,25,26)
InChIKeyTXQYTVVNMTYQSK-UHFFFAOYSA-N
MW425.39 g/mol
LogP3.59
Rot. Bonds5

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

4,6-dimethoxy-N-[5-(2-methyl-3-pyridinyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide (PubChem CID 122588996) has the molecular formula C17H14F3N5O3S and a molecular weight of 425.39 g/mol. Its IUPAC name is 4,6-dimethoxy-N-[5-(2-methyl-3-pyridinyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4,6-dimethoxy-N-[5-(2-methyl-3-pyridinyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide
PubChem CID122588996
Molecular FormulaC17H14F3N5O3S
Molecular Weight425.39 g/mol
Exact Mass425.08
IUPAC Name4,6-dimethoxy-N-[5-(2-methyl-3-pyridinyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide
SMILESCOc1ncnc(OC)c1C(=O)Nc1nc(C(F)(F)F)c(-c2cccnc2C)s1
InChIInChI=1S/C17H14F3N5O3S/c1-8-9(5-4-6-21-8)11-12(17(18,19)20)24-16(29-11)25-13(26)10-14(27-2)22-7-23-15(10)28-3/h4-7H,1-3H3,(H,24,25,26)
InChIKeyTXQYTVVNMTYQSK-UHFFFAOYSA-N
XLogP3.59
TPSA99.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.39
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-N-[5-(2-methyl-3-pyridinyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide?
The IUPAC name of 4,6-dimethoxy-N-[5-(2-methyl-3-pyridinyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide (CID 122588996) is 4,6-dimethoxy-N-[5-(2-methyl-3-pyridinyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for 4,6-dimethoxy-N-[5-(2-methyl-3-pyridinyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide?
The canonical SMILES for 4,6-dimethoxy-N-[5-(2-methyl-3-pyridinyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide is COc1ncnc(OC)c1C(=O)Nc1nc(C(F)(F)F)c(-c2cccnc2C)s1.
What is the InChIKey of 4,6-dimethoxy-N-[5-(2-methyl-3-pyridinyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide?
The InChIKey is TXQYTVVNMTYQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5O3S/c1-8-9(5-4-6-21-8)11-12(17(18,19)20)24-16(29-11)25-13(26)10-14(27-2)22-7-23-15(10)28-3/h4-7H,1-3H3,(H,24,25,26).
What are the key properties of 4,6-dimethoxy-N-[5-(2-methyl-3-pyridinyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide?
4,6-dimethoxy-N-[5-(2-methyl-3-pyridinyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide has a molecular weight of 425.39 g/mol, XLogP of 3.59, 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-[5-(2-methyl-3-pyridinyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 122588996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).