3-[2-[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]ethyl]-1,1-diethylurea

C16H19F2N3OS — CID 162657255

IUPAC3-[2-[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]ethyl]-1,1-diethylurea
SMILESCCN(CC)C(=O)NCCc1csc(-c2ccc(F)cc2F)n1
InChIInChI=1S/C16H19F2N3OS/c1-3-21(4-2)16(22)19-8-7-12-10-23-15(20-12)13-6-5-11(17)9-14(13)18/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,19,22)
InChIKeyYYAIASCJJQDPSP-UHFFFAOYSA-N
MW339.41 g/mol
LogP3.68
Rot. Bonds6

About 3-[2-[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]ethyl]-1,1-diethylurea

3-[2-[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]ethyl]-1,1-diethylurea (PubChem CID 162657255) has the molecular formula C16H19F2N3OS and a molecular weight of 339.41 g/mol. Its IUPAC name is 3-[2-[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]ethyl]-1,1-diethylurea.

Molecular Properties

Compound Name3-[2-[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]ethyl]-1,1-diethylurea
PubChem CID162657255
Molecular FormulaC16H19F2N3OS
Molecular Weight339.41 g/mol
Exact Mass339.12
IUPAC Name3-[2-[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]ethyl]-1,1-diethylurea
SMILESCCN(CC)C(=O)NCCc1csc(-c2ccc(F)cc2F)n1
InChIInChI=1S/C16H19F2N3OS/c1-3-21(4-2)16(22)19-8-7-12-10-23-15(20-12)13-6-5-11(17)9-14(13)18/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,19,22)
InChIKeyYYAIASCJJQDPSP-UHFFFAOYSA-N
XLogP3.68
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[1-(4-fluorophenyl)ethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
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3,3-dimethyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]butanamide
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N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide
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N-(2-(2-phenylthiazol-4-yl)ethyl)cyclohexanecarboxamide
CID 22583820
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]ethyl]-1,1-diethylurea?
The IUPAC name of 3-[2-[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]ethyl]-1,1-diethylurea (CID 162657255) is 3-[2-[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]ethyl]-1,1-diethylurea.
What is the SMILES notation for 3-[2-[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]ethyl]-1,1-diethylurea?
The canonical SMILES for 3-[2-[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]ethyl]-1,1-diethylurea is CCN(CC)C(=O)NCCc1csc(-c2ccc(F)cc2F)n1.
What is the InChIKey of 3-[2-[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]ethyl]-1,1-diethylurea?
The InChIKey is YYAIASCJJQDPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3OS/c1-3-21(4-2)16(22)19-8-7-12-10-23-15(20-12)13-6-5-11(17)9-14(13)18/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,19,22).
What are the key properties of 3-[2-[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]ethyl]-1,1-diethylurea?
3-[2-[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]ethyl]-1,1-diethylurea has a molecular weight of 339.41 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]ethyl]-1,1-diethylurea is sourced from PubChem (CID 162657255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).