1-ethyl-3-[5-[5-(5-methyl-1H-imidazol-2-yl)-4-(2-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]urea

C22H19F3N10OS2 — CID 141248032

IUPAC1-ethyl-3-[5-[5-(5-methyl-1H-imidazol-2-yl)-4-(2-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]urea
SMILESCCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2nc(-c3ncnn3C)c(-c3ncc(C)[nH]3)s2)cn1
InChIInChI=1S/C22H19F3N10OS2/c1-4-26-21(36)33-14-5-11(19-32-13(8-37-19)22(23,24)25)12(7-27-14)20-34-15(18-29-9-30-35(18)3)16(38-20)17-28-6-10(2)31-17/h5-9H,4H2,1-3H3,(H,28,31)(H2,26,27,33,36)
InChIKeyBBGLMXCPLNSLIN-UHFFFAOYSA-N
MW560.59 g/mol
LogP4.98
Rot. Bonds6

About 1-ethyl-3-[5-[5-(5-methyl-1H-imidazol-2-yl)-4-(2-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]urea

1-ethyl-3-[5-[5-(5-methyl-1H-imidazol-2-yl)-4-(2-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]urea (PubChem CID 141248032) has the molecular formula C22H19F3N10OS2 and a molecular weight of 560.59 g/mol. Its IUPAC name is 1-ethyl-3-[5-[5-(5-methyl-1H-imidazol-2-yl)-4-(2-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[5-[5-(5-methyl-1H-imidazol-2-yl)-4-(2-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]urea
PubChem CID141248032
Molecular FormulaC22H19F3N10OS2
Molecular Weight560.59 g/mol
Exact Mass560.11
IUPAC Name1-ethyl-3-[5-[5-(5-methyl-1H-imidazol-2-yl)-4-(2-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]urea
SMILESCCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2nc(-c3ncnn3C)c(-c3ncc(C)[nH]3)s2)cn1
InChIInChI=1S/C22H19F3N10OS2/c1-4-26-21(36)33-14-5-11(19-32-13(8-37-19)22(23,24)25)12(7-27-14)20-34-15(18-29-9-30-35(18)3)16(38-20)17-28-6-10(2)31-17/h5-9H,4H2,1-3H3,(H,28,31)(H2,26,27,33,36)
InChIKeyBBGLMXCPLNSLIN-UHFFFAOYSA-N
XLogP4.98
TPSA139.19 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.59
LogP ≤ 54.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 1-ethyl-3-[5-[5-(5-methyl-1H-imidazol-2-yl)-4-(2-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[5-[5-(5-methyl-1H-imidazol-2-yl)-4-(2-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]urea?
The IUPAC name of 1-ethyl-3-[5-[5-(5-methyl-1H-imidazol-2-yl)-4-(2-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]urea (CID 141248032) is 1-ethyl-3-[5-[5-(5-methyl-1H-imidazol-2-yl)-4-(2-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]urea.
What is the SMILES notation for 1-ethyl-3-[5-[5-(5-methyl-1H-imidazol-2-yl)-4-(2-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]urea?
The canonical SMILES for 1-ethyl-3-[5-[5-(5-methyl-1H-imidazol-2-yl)-4-(2-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]urea is CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2nc(-c3ncnn3C)c(-c3ncc(C)[nH]3)s2)cn1.
What is the InChIKey of 1-ethyl-3-[5-[5-(5-methyl-1H-imidazol-2-yl)-4-(2-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]urea?
The InChIKey is BBGLMXCPLNSLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N10OS2/c1-4-26-21(36)33-14-5-11(19-32-13(8-37-19)22(23,24)25)12(7-27-14)20-34-15(18-29-9-30-35(18)3)16(38-20)17-28-6-10(2)31-17/h5-9H,4H2,1-3H3,(H,28,31)(H2,26,27,33,36).
What are the key properties of 1-ethyl-3-[5-[5-(5-methyl-1H-imidazol-2-yl)-4-(2-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]urea?
1-ethyl-3-[5-[5-(5-methyl-1H-imidazol-2-yl)-4-(2-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]urea has a molecular weight of 560.59 g/mol, XLogP of 4.98, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[5-[5-(5-methyl-1H-imidazol-2-yl)-4-(2-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]urea is sourced from PubChem (CID 141248032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).