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

C12H16FN5OS — CID 136555035

IUPAC1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-3-[1-(2-fluoroethyl)pyrazol-4-yl]urea
SMILESCCc1nc(C)c(NC(=O)Nc2cnn(CCF)c2)s1
InChIInChI=1S/C12H16FN5OS/c1-3-10-15-8(2)11(20-10)17-12(19)16-9-6-14-18(7-9)5-4-13/h6-7H,3-5H2,1-2H3,(H2,16,17,19)
InChIKeyDXDGZRGTKNXFQV-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.82
Rot. Bonds5

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

1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-3-[1-(2-fluoroethyl)pyrazol-4-yl]urea (PubChem CID 136555035) has the molecular formula C12H16FN5OS and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-3-[1-(2-fluoroethyl)pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-3-[1-(2-fluoroethyl)pyrazol-4-yl]urea
PubChem CID136555035
Molecular FormulaC12H16FN5OS
Molecular Weight297.36 g/mol
Exact Mass297.11
IUPAC Name1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-3-[1-(2-fluoroethyl)pyrazol-4-yl]urea
SMILESCCc1nc(C)c(NC(=O)Nc2cnn(CCF)c2)s1
InChIInChI=1S/C12H16FN5OS/c1-3-10-15-8(2)11(20-10)17-12(19)16-9-6-14-18(7-9)5-4-13/h6-7H,3-5H2,1-2H3,(H2,16,17,19)
InChIKeyDXDGZRGTKNXFQV-UHFFFAOYSA-N
XLogP2.82
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-3-[1-(2-fluoroethyl)pyrazol-4-yl]urea?
The IUPAC name of 1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-3-[1-(2-fluoroethyl)pyrazol-4-yl]urea (CID 136555035) is 1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-3-[1-(2-fluoroethyl)pyrazol-4-yl]urea.
What is the SMILES notation for 1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-3-[1-(2-fluoroethyl)pyrazol-4-yl]urea?
The canonical SMILES for 1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-3-[1-(2-fluoroethyl)pyrazol-4-yl]urea is CCc1nc(C)c(NC(=O)Nc2cnn(CCF)c2)s1.
What is the InChIKey of 1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-3-[1-(2-fluoroethyl)pyrazol-4-yl]urea?
The InChIKey is DXDGZRGTKNXFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN5OS/c1-3-10-15-8(2)11(20-10)17-12(19)16-9-6-14-18(7-9)5-4-13/h6-7H,3-5H2,1-2H3,(H2,16,17,19).
What are the key properties of 1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-3-[1-(2-fluoroethyl)pyrazol-4-yl]urea?
1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-3-[1-(2-fluoroethyl)pyrazol-4-yl]urea has a molecular weight of 297.36 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-3-[1-(2-fluoroethyl)pyrazol-4-yl]urea is sourced from PubChem (CID 136555035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).