1-ethyl-3-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]urea

C20H22N4OS — CID 118709525

IUPAC1-ethyl-3-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]urea
SMILESCCCc1cc(-c2nc(-c3ccc(NC(=O)NCC)cc3)cs2)ccn1
InChIInChI=1S/C20H22N4OS/c1-3-5-17-12-15(10-11-22-17)19-24-18(13-26-19)14-6-8-16(9-7-14)23-20(25)21-4-2/h6-13H,3-5H2,1-2H3,(H2,21,23,25)
InChIKeyFDQXAONMYACOFS-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.97
Rot. Bonds6

About 1-ethyl-3-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]urea

1-ethyl-3-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]urea (PubChem CID 118709525) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is 1-ethyl-3-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]urea
PubChem CID118709525
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC Name1-ethyl-3-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]urea
SMILESCCCc1cc(-c2nc(-c3ccc(NC(=O)NCC)cc3)cs2)ccn1
InChIInChI=1S/C20H22N4OS/c1-3-5-17-12-15(10-11-22-17)19-24-18(13-26-19)14-6-8-16(9-7-14)23-20(25)21-4-2/h6-13H,3-5H2,1-2H3,(H2,21,23,25)
InChIKeyFDQXAONMYACOFS-UHFFFAOYSA-N
XLogP4.97
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]urea?
The IUPAC name of 1-ethyl-3-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]urea (CID 118709525) is 1-ethyl-3-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]urea.
What is the SMILES notation for 1-ethyl-3-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]urea?
The canonical SMILES for 1-ethyl-3-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]urea is CCCc1cc(-c2nc(-c3ccc(NC(=O)NCC)cc3)cs2)ccn1.
What is the InChIKey of 1-ethyl-3-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]urea?
The InChIKey is FDQXAONMYACOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-3-5-17-12-15(10-11-22-17)19-24-18(13-26-19)14-6-8-16(9-7-14)23-20(25)21-4-2/h6-13H,3-5H2,1-2H3,(H2,21,23,25).
What are the key properties of 1-ethyl-3-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]urea?
1-ethyl-3-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]urea has a molecular weight of 366.49 g/mol, XLogP of 4.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]urea is sourced from PubChem (CID 118709525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).