1-[4-(4-methyl-1,3-thiazol-2-yl)-5-[5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-2-pyridinyl]-3-(2,2,2-trifluoroethyl)urea

C19H14F3N7O3S — CID 68640224

IUPAC1-[4-(4-methyl-1,3-thiazol-2-yl)-5-[5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-2-pyridinyl]-3-(2,2,2-trifluoroethyl)urea
SMILESCc1csc(-c2cc(NC(=O)NCC(F)(F)F)ncc2-c2cncc(-c3n[nH]c(=O)o3)c2)n1
InChIInChI=1S/C19H14F3N7O3S/c1-9-7-33-16(26-9)12-3-14(27-17(30)25-8-19(20,21)22)24-6-13(12)10-2-11(5-23-4-10)15-28-29-18(31)32-15/h2-7H,8H2,1H3,(H,29,31)(H2,24,25,27,30)
InChIKeyHTVZELUMWPQCGK-UHFFFAOYSA-N
MW477.43 g/mol
LogP3.60
Rot. Bonds5

About 1-[4-(4-methyl-1,3-thiazol-2-yl)-5-[5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-2-pyridinyl]-3-(2,2,2-trifluoroethyl)urea

1-[4-(4-methyl-1,3-thiazol-2-yl)-5-[5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-2-pyridinyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 68640224) has the molecular formula C19H14F3N7O3S and a molecular weight of 477.43 g/mol. Its IUPAC name is 1-[4-(4-methyl-1,3-thiazol-2-yl)-5-[5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-2-pyridinyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[4-(4-methyl-1,3-thiazol-2-yl)-5-[5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-2-pyridinyl]-3-(2,2,2-trifluoroethyl)urea
PubChem CID68640224
Molecular FormulaC19H14F3N7O3S
Molecular Weight477.43 g/mol
Exact Mass477.08
IUPAC Name1-[4-(4-methyl-1,3-thiazol-2-yl)-5-[5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-2-pyridinyl]-3-(2,2,2-trifluoroethyl)urea
SMILESCc1csc(-c2cc(NC(=O)NCC(F)(F)F)ncc2-c2cncc(-c3n[nH]c(=O)o3)c2)n1
InChIInChI=1S/C19H14F3N7O3S/c1-9-7-33-16(26-9)12-3-14(27-17(30)25-8-19(20,21)22)24-6-13(12)10-2-11(5-23-4-10)15-28-29-18(31)32-15/h2-7H,8H2,1H3,(H,29,31)(H2,24,25,27,30)
InChIKeyHTVZELUMWPQCGK-UHFFFAOYSA-N
XLogP3.60
TPSA138.69 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.43
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-[4-(4-methyl-1,3-thiazol-2-yl)-5-[5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-2-pyridinyl]-3-(2,2,2-trifluoroethyl)urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methyl-1,3-thiazol-2-yl)-5-[5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-2-pyridinyl]-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[4-(4-methyl-1,3-thiazol-2-yl)-5-[5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-2-pyridinyl]-3-(2,2,2-trifluoroethyl)urea (CID 68640224) is 1-[4-(4-methyl-1,3-thiazol-2-yl)-5-[5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-2-pyridinyl]-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-[4-(4-methyl-1,3-thiazol-2-yl)-5-[5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-2-pyridinyl]-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[4-(4-methyl-1,3-thiazol-2-yl)-5-[5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-2-pyridinyl]-3-(2,2,2-trifluoroethyl)urea is Cc1csc(-c2cc(NC(=O)NCC(F)(F)F)ncc2-c2cncc(-c3n[nH]c(=O)o3)c2)n1.
What is the InChIKey of 1-[4-(4-methyl-1,3-thiazol-2-yl)-5-[5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-2-pyridinyl]-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is HTVZELUMWPQCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N7O3S/c1-9-7-33-16(26-9)12-3-14(27-17(30)25-8-19(20,21)22)24-6-13(12)10-2-11(5-23-4-10)15-28-29-18(31)32-15/h2-7H,8H2,1H3,(H,29,31)(H2,24,25,27,30).
What are the key properties of 1-[4-(4-methyl-1,3-thiazol-2-yl)-5-[5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-2-pyridinyl]-3-(2,2,2-trifluoroethyl)urea?
1-[4-(4-methyl-1,3-thiazol-2-yl)-5-[5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-2-pyridinyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 477.43 g/mol, XLogP of 3.60, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methyl-1,3-thiazol-2-yl)-5-[5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-2-pyridinyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 68640224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).