1-propan-2-yl-1-[[4-(1,3-thiazol-2-yl)-2-pyridinyl]methyl]-3-[4-(trifluoromethoxy)phenyl]urea

C20H19F3N4O2S — CID 90014418

IUPAC1-propan-2-yl-1-[[4-(1,3-thiazol-2-yl)-2-pyridinyl]methyl]-3-[4-(trifluoromethoxy)phenyl]urea
SMILESCC(C)N(Cc1cc(-c2nccs2)ccn1)C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H19F3N4O2S/c1-13(2)27(12-16-11-14(7-8-24-16)18-25-9-10-30-18)19(28)26-15-3-5-17(6-4-15)29-20(21,22)23/h3-11,13H,12H2,1-2H3,(H,26,28)
InChIKeyXWEANBQENBBVBT-UHFFFAOYSA-N
MW436.46 g/mol
LogP5.55
Rot. Bonds6

About 1-propan-2-yl-1-[[4-(1,3-thiazol-2-yl)-2-pyridinyl]methyl]-3-[4-(trifluoromethoxy)phenyl]urea

1-propan-2-yl-1-[[4-(1,3-thiazol-2-yl)-2-pyridinyl]methyl]-3-[4-(trifluoromethoxy)phenyl]urea (PubChem CID 90014418) has the molecular formula C20H19F3N4O2S and a molecular weight of 436.46 g/mol. Its IUPAC name is 1-propan-2-yl-1-[[4-(1,3-thiazol-2-yl)-2-pyridinyl]methyl]-3-[4-(trifluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-propan-2-yl-1-[[4-(1,3-thiazol-2-yl)-2-pyridinyl]methyl]-3-[4-(trifluoromethoxy)phenyl]urea
PubChem CID90014418
Molecular FormulaC20H19F3N4O2S
Molecular Weight436.46 g/mol
Exact Mass436.12
IUPAC Name1-propan-2-yl-1-[[4-(1,3-thiazol-2-yl)-2-pyridinyl]methyl]-3-[4-(trifluoromethoxy)phenyl]urea
SMILESCC(C)N(Cc1cc(-c2nccs2)ccn1)C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H19F3N4O2S/c1-13(2)27(12-16-11-14(7-8-24-16)18-25-9-10-30-18)19(28)26-15-3-5-17(6-4-15)29-20(21,22)23/h3-11,13H,12H2,1-2H3,(H,26,28)
InChIKeyXWEANBQENBBVBT-UHFFFAOYSA-N
XLogP5.55
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.46
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-propan-2-yl-1-[[4-(1,3-thiazol-2-yl)-2-pyridinyl]methyl]-3-[4-(trifluoromethoxy)phenyl]urea with MolForge

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Related Compounds

1-[(1r)-1-(3-Methoxyphenyl)ethyl]-3-(4-Pyridin-4-Yl-1,3-Thiazol-2-Yl)urea
CID 56603818
1-Cyclopropyl-1-[3-(1,3-Thiazol-2-Yl)benzyl]-3-[4-(Trifluoromethoxy)phenyl]urea
CID 74627728
5-Methylsulfanyl-4-{2-[4-(5-trifluoromethyl-pyridin-2-yloxy)-phenylamino]-thiazol-4-yl}-thiophene-2-carboxamidine
CID 18536939
1-(3-Methoxybenzyl)-3-(4-(pyridin-4-yl)thiazol-2-yl)urea
CID 53492330
3-[(3-Methoxyphenyl)methyl]-1-methyl-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
CID 67450910
1-[(3-Methoxyphenyl)methyl]-1-methyl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
CID 87405962
1-[(2-Methoxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
CID 87406786
1-Propan-2-yl-1-[3-(1,3-thiazol-2-yl)benzyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 90014603
N-(4-methoxyphenyl)-4-(3-pyridinyl)-1,3-thiazol-2-amine
CID 704558
N-[4-(1H-1,2-benzazaborinin-2-ylmethoxy)phenyl]-N-methyl-4-pyridin-3-yl-1,3-thiazole-2-carboxamide
CID 168270094
N-(4-methoxyphenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine
CID 793675
1-[4-[4-(1,3-Thiazol-2-yl)phenoxy]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 46703912

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-1-[[4-(1,3-thiazol-2-yl)-2-pyridinyl]methyl]-3-[4-(trifluoromethoxy)phenyl]urea?
The IUPAC name of 1-propan-2-yl-1-[[4-(1,3-thiazol-2-yl)-2-pyridinyl]methyl]-3-[4-(trifluoromethoxy)phenyl]urea (CID 90014418) is 1-propan-2-yl-1-[[4-(1,3-thiazol-2-yl)-2-pyridinyl]methyl]-3-[4-(trifluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-propan-2-yl-1-[[4-(1,3-thiazol-2-yl)-2-pyridinyl]methyl]-3-[4-(trifluoromethoxy)phenyl]urea?
The canonical SMILES for 1-propan-2-yl-1-[[4-(1,3-thiazol-2-yl)-2-pyridinyl]methyl]-3-[4-(trifluoromethoxy)phenyl]urea is CC(C)N(Cc1cc(-c2nccs2)ccn1)C(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 1-propan-2-yl-1-[[4-(1,3-thiazol-2-yl)-2-pyridinyl]methyl]-3-[4-(trifluoromethoxy)phenyl]urea?
The InChIKey is XWEANBQENBBVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O2S/c1-13(2)27(12-16-11-14(7-8-24-16)18-25-9-10-30-18)19(28)26-15-3-5-17(6-4-15)29-20(21,22)23/h3-11,13H,12H2,1-2H3,(H,26,28).
What are the key properties of 1-propan-2-yl-1-[[4-(1,3-thiazol-2-yl)-2-pyridinyl]methyl]-3-[4-(trifluoromethoxy)phenyl]urea?
1-propan-2-yl-1-[[4-(1,3-thiazol-2-yl)-2-pyridinyl]methyl]-3-[4-(trifluoromethoxy)phenyl]urea has a molecular weight of 436.46 g/mol, XLogP of 5.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-1-[[4-(1,3-thiazol-2-yl)-2-pyridinyl]methyl]-3-[4-(trifluoromethoxy)phenyl]urea is sourced from PubChem (CID 90014418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).