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

C15H17F3N4O4S — CID 135312681

IUPAC4,6-dimethoxy-N-[5-(3-methoxypropyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide
SMILESCOCCCc1sc(NC(=O)c2c(OC)ncnc2OC)nc1C(F)(F)F
InChIInChI=1S/C15H17F3N4O4S/c1-24-6-4-5-8-10(15(16,17)18)21-14(27-8)22-11(23)9-12(25-2)19-7-20-13(9)26-3/h7H,4-6H2,1-3H3,(H,21,22,23)
InChIKeyCGZZNMBDRJOAPA-UHFFFAOYSA-N
MW406.39 g/mol
LogP2.80
Rot. Bonds8

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

4,6-dimethoxy-N-[5-(3-methoxypropyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide (PubChem CID 135312681) has the molecular formula C15H17F3N4O4S and a molecular weight of 406.39 g/mol. Its IUPAC name is 4,6-dimethoxy-N-[5-(3-methoxypropyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4,6-dimethoxy-N-[5-(3-methoxypropyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide
PubChem CID135312681
Molecular FormulaC15H17F3N4O4S
Molecular Weight406.39 g/mol
Exact Mass406.09
IUPAC Name4,6-dimethoxy-N-[5-(3-methoxypropyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide
SMILESCOCCCc1sc(NC(=O)c2c(OC)ncnc2OC)nc1C(F)(F)F
InChIInChI=1S/C15H17F3N4O4S/c1-24-6-4-5-8-10(15(16,17)18)21-14(27-8)22-11(23)9-12(25-2)19-7-20-13(9)26-3/h7H,4-6H2,1-3H3,(H,21,22,23)
InChIKeyCGZZNMBDRJOAPA-UHFFFAOYSA-N
XLogP2.80
TPSA95.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.39
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-N-[5-(3-methoxypropyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide?
The IUPAC name of 4,6-dimethoxy-N-[5-(3-methoxypropyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide (CID 135312681) is 4,6-dimethoxy-N-[5-(3-methoxypropyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for 4,6-dimethoxy-N-[5-(3-methoxypropyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide?
The canonical SMILES for 4,6-dimethoxy-N-[5-(3-methoxypropyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide is COCCCc1sc(NC(=O)c2c(OC)ncnc2OC)nc1C(F)(F)F.
What is the InChIKey of 4,6-dimethoxy-N-[5-(3-methoxypropyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide?
The InChIKey is CGZZNMBDRJOAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O4S/c1-24-6-4-5-8-10(15(16,17)18)21-14(27-8)22-11(23)9-12(25-2)19-7-20-13(9)26-3/h7H,4-6H2,1-3H3,(H,21,22,23).
What are the key properties of 4,6-dimethoxy-N-[5-(3-methoxypropyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide?
4,6-dimethoxy-N-[5-(3-methoxypropyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide has a molecular weight of 406.39 g/mol, XLogP of 2.80, 8 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-(3-methoxypropyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 135312681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).