1-ethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea

C7H11N3O2S — CID 106380597

IUPAC1-ethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea
SMILESCCNC(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C7H11N3O2S/c1-2-8-6(11)9-3-5-4-13-7(12)10-5/h4H,2-3H2,1H3,(H,10,12)(H2,8,9,11)
InChIKeySGDYSCSTQYKTOQ-UHFFFAOYSA-N
MW201.25 g/mol
LogP0.26
Rot. Bonds3

About 1-ethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea

1-ethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea (PubChem CID 106380597) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is 1-ethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea
PubChem CID106380597
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC Name1-ethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea
SMILESCCNC(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C7H11N3O2S/c1-2-8-6(11)9-3-5-4-13-7(12)10-5/h4H,2-3H2,1H3,(H,10,12)(H2,8,9,11)
InChIKeySGDYSCSTQYKTOQ-UHFFFAOYSA-N
XLogP0.26
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea?
The IUPAC name of 1-ethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea (CID 106380597) is 1-ethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea.
What is the SMILES notation for 1-ethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea?
The canonical SMILES for 1-ethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea is CCNC(=O)NCc1csc(=O)[nH]1.
What is the InChIKey of 1-ethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea?
The InChIKey is SGDYSCSTQYKTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S/c1-2-8-6(11)9-3-5-4-13-7(12)10-5/h4H,2-3H2,1H3,(H,10,12)(H2,8,9,11).
What are the key properties of 1-ethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea?
1-ethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea has a molecular weight of 201.25 g/mol, XLogP of 0.26, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea is sourced from PubChem (CID 106380597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).