3-(2-cyclopropylpyrimidin-5-yl)-1-methyl-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea

C14H14F3N5OS — CID 126795095

IUPAC3-(2-cyclopropylpyrimidin-5-yl)-1-methyl-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea
SMILESCN(Cc1nc(C(F)(F)F)cs1)C(=O)Nc1cnc(C2CC2)nc1
InChIInChI=1S/C14H14F3N5OS/c1-22(6-11-21-10(7-24-11)14(15,16)17)13(23)20-9-4-18-12(19-5-9)8-2-3-8/h4-5,7-8H,2-3,6H2,1H3,(H,20,23)
InChIKeyQZVGBOKEMUDXSF-UHFFFAOYSA-N
MW357.36 g/mol
LogP3.49
Rot. Bonds4

About 3-(2-cyclopropylpyrimidin-5-yl)-1-methyl-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea

3-(2-cyclopropylpyrimidin-5-yl)-1-methyl-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea (PubChem CID 126795095) has the molecular formula C14H14F3N5OS and a molecular weight of 357.36 g/mol. Its IUPAC name is 3-(2-cyclopropylpyrimidin-5-yl)-1-methyl-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea.

Molecular Properties

Compound Name3-(2-cyclopropylpyrimidin-5-yl)-1-methyl-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea
PubChem CID126795095
Molecular FormulaC14H14F3N5OS
Molecular Weight357.36 g/mol
Exact Mass357.09
IUPAC Name3-(2-cyclopropylpyrimidin-5-yl)-1-methyl-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea
SMILESCN(Cc1nc(C(F)(F)F)cs1)C(=O)Nc1cnc(C2CC2)nc1
InChIInChI=1S/C14H14F3N5OS/c1-22(6-11-21-10(7-24-11)14(15,16)17)13(23)20-9-4-18-12(19-5-9)8-2-3-8/h4-5,7-8H,2-3,6H2,1H3,(H,20,23)
InChIKeyQZVGBOKEMUDXSF-UHFFFAOYSA-N
XLogP3.49
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopropylpyrimidin-5-yl)-1-methyl-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea?
The IUPAC name of 3-(2-cyclopropylpyrimidin-5-yl)-1-methyl-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea (CID 126795095) is 3-(2-cyclopropylpyrimidin-5-yl)-1-methyl-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea.
What is the SMILES notation for 3-(2-cyclopropylpyrimidin-5-yl)-1-methyl-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea?
The canonical SMILES for 3-(2-cyclopropylpyrimidin-5-yl)-1-methyl-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea is CN(Cc1nc(C(F)(F)F)cs1)C(=O)Nc1cnc(C2CC2)nc1.
What is the InChIKey of 3-(2-cyclopropylpyrimidin-5-yl)-1-methyl-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea?
The InChIKey is QZVGBOKEMUDXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5OS/c1-22(6-11-21-10(7-24-11)14(15,16)17)13(23)20-9-4-18-12(19-5-9)8-2-3-8/h4-5,7-8H,2-3,6H2,1H3,(H,20,23).
What are the key properties of 3-(2-cyclopropylpyrimidin-5-yl)-1-methyl-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea?
3-(2-cyclopropylpyrimidin-5-yl)-1-methyl-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea has a molecular weight of 357.36 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopropylpyrimidin-5-yl)-1-methyl-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea is sourced from PubChem (CID 126795095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).