1-(2,4-difluorophenyl)-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]urea

C15H11F2N3OS2 — CID 2738841

IUPAC1-(2,4-difluorophenyl)-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]urea
SMILESO=C(NCc1csc(-c2cccs2)n1)Nc1ccc(F)cc1F
InChIInChI=1S/C15H11F2N3OS2/c16-9-3-4-12(11(17)6-9)20-15(21)18-7-10-8-23-14(19-10)13-2-1-5-22-13/h1-6,8H,7H2,(H2,18,20,21)
InChIKeyDNZWGAIJLVREQN-UHFFFAOYSA-N
MW351.40 g/mol
LogP4.47
Rot. Bonds4

About 1-(2,4-difluorophenyl)-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]urea

1-(2,4-difluorophenyl)-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]urea (PubChem CID 2738841) has the molecular formula C15H11F2N3OS2 and a molecular weight of 351.40 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]urea
PubChem CID2738841
Molecular FormulaC15H11F2N3OS2
Molecular Weight351.40 g/mol
Exact Mass351.03
IUPAC Name1-(2,4-difluorophenyl)-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]urea
SMILESO=C(NCc1csc(-c2cccs2)n1)Nc1ccc(F)cc1F
InChIInChI=1S/C15H11F2N3OS2/c16-9-3-4-12(11(17)6-9)20-15(21)18-7-10-8-23-14(19-10)13-2-1-5-22-13/h1-6,8H,7H2,(H2,18,20,21)
InChIKeyDNZWGAIJLVREQN-UHFFFAOYSA-N
XLogP4.47
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]urea (CID 2738841) is 1-(2,4-difluorophenyl)-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]urea is O=C(NCc1csc(-c2cccs2)n1)Nc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]urea?
The InChIKey is DNZWGAIJLVREQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3OS2/c16-9-3-4-12(11(17)6-9)20-15(21)18-7-10-8-23-14(19-10)13-2-1-5-22-13/h1-6,8H,7H2,(H2,18,20,21).
What are the key properties of 1-(2,4-difluorophenyl)-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]urea?
1-(2,4-difluorophenyl)-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]urea has a molecular weight of 351.40 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]urea is sourced from PubChem (CID 2738841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).