1-(4-methoxypyrimidin-5-yl)-3-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]urea

C18H19N5O2S — CID 126793086

IUPAC1-(4-methoxypyrimidin-5-yl)-3-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]urea
SMILESCOc1ncncc1NC(=O)NC(C)c1sc(-c2ccccc2)nc1C
InChIInChI=1S/C18H19N5O2S/c1-11-15(26-17(21-11)13-7-5-4-6-8-13)12(2)22-18(24)23-14-9-19-10-20-16(14)25-3/h4-10,12H,1-3H3,(H2,22,23,24)
InChIKeyRYJQXAQOQVDRDP-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.80
Rot. Bonds5

About 1-(4-methoxypyrimidin-5-yl)-3-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]urea

1-(4-methoxypyrimidin-5-yl)-3-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]urea (PubChem CID 126793086) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is 1-(4-methoxypyrimidin-5-yl)-3-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]urea.

Molecular Properties

Compound Name1-(4-methoxypyrimidin-5-yl)-3-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]urea
PubChem CID126793086
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC Name1-(4-methoxypyrimidin-5-yl)-3-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]urea
SMILESCOc1ncncc1NC(=O)NC(C)c1sc(-c2ccccc2)nc1C
InChIInChI=1S/C18H19N5O2S/c1-11-15(26-17(21-11)13-7-5-4-6-8-13)12(2)22-18(24)23-14-9-19-10-20-16(14)25-3/h4-10,12H,1-3H3,(H2,22,23,24)
InChIKeyRYJQXAQOQVDRDP-UHFFFAOYSA-N
XLogP3.80
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxypyrimidin-5-yl)-3-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]urea?
The IUPAC name of 1-(4-methoxypyrimidin-5-yl)-3-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]urea (CID 126793086) is 1-(4-methoxypyrimidin-5-yl)-3-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]urea.
What is the SMILES notation for 1-(4-methoxypyrimidin-5-yl)-3-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]urea?
The canonical SMILES for 1-(4-methoxypyrimidin-5-yl)-3-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]urea is COc1ncncc1NC(=O)NC(C)c1sc(-c2ccccc2)nc1C.
What is the InChIKey of 1-(4-methoxypyrimidin-5-yl)-3-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]urea?
The InChIKey is RYJQXAQOQVDRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S/c1-11-15(26-17(21-11)13-7-5-4-6-8-13)12(2)22-18(24)23-14-9-19-10-20-16(14)25-3/h4-10,12H,1-3H3,(H2,22,23,24).
What are the key properties of 1-(4-methoxypyrimidin-5-yl)-3-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]urea?
1-(4-methoxypyrimidin-5-yl)-3-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]urea has a molecular weight of 369.45 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxypyrimidin-5-yl)-3-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]urea is sourced from PubChem (CID 126793086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).