1-[5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-3-pyridin-2-ylurea

C18H19N5O2S — CID 59921739

IUPAC1-[5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-3-pyridin-2-ylurea
SMILESCC(C)(C)c1cnc(/C=C/c2cnc(NC(=O)Nc3ccccn3)s2)o1
InChIInChI=1S/C18H19N5O2S/c1-18(2,3)13-11-20-15(25-13)8-7-12-10-21-17(26-12)23-16(24)22-14-6-4-5-9-19-14/h4-11H,1-3H3,(H2,19,21,22,23,24)/b8-7+
InChIKeyXOZBLBNLHPNJEC-BQYQJAHWSA-N
MW369.45 g/mol
LogP4.64
Rot. Bonds4

About 1-[5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-3-pyridin-2-ylurea

1-[5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-3-pyridin-2-ylurea (PubChem CID 59921739) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is 1-[5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-3-pyridin-2-ylurea.

Molecular Properties

Compound Name1-[5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-3-pyridin-2-ylurea
PubChem CID59921739
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC Name1-[5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-3-pyridin-2-ylurea
SMILESCC(C)(C)c1cnc(/C=C/c2cnc(NC(=O)Nc3ccccn3)s2)o1
InChIInChI=1S/C18H19N5O2S/c1-18(2,3)13-11-20-15(25-13)8-7-12-10-21-17(26-12)23-16(24)22-14-6-4-5-9-19-14/h4-11H,1-3H3,(H2,19,21,22,23,24)/b8-7+
InChIKeyXOZBLBNLHPNJEC-BQYQJAHWSA-N
XLogP4.64
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-3-pyridin-2-ylurea?
The IUPAC name of 1-[5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-3-pyridin-2-ylurea (CID 59921739) is 1-[5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-3-pyridin-2-ylurea.
What is the SMILES notation for 1-[5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-3-pyridin-2-ylurea?
The canonical SMILES for 1-[5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-3-pyridin-2-ylurea is CC(C)(C)c1cnc(/C=C/c2cnc(NC(=O)Nc3ccccn3)s2)o1.
What is the InChIKey of 1-[5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-3-pyridin-2-ylurea?
The InChIKey is XOZBLBNLHPNJEC-BQYQJAHWSA-N. The full InChI is InChI=1S/C18H19N5O2S/c1-18(2,3)13-11-20-15(25-13)8-7-12-10-21-17(26-12)23-16(24)22-14-6-4-5-9-19-14/h4-11H,1-3H3,(H2,19,21,22,23,24)/b8-7+.
What are the key properties of 1-[5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-3-pyridin-2-ylurea?
1-[5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-3-pyridin-2-ylurea has a molecular weight of 369.45 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-3-pyridin-2-ylurea is sourced from PubChem (CID 59921739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).