(2-oxo-3H-1,3-thiazol-4-yl)methylurea

C5H7N3O2S — CID 106380591

IUPAC(2-oxo-3H-1,3-thiazol-4-yl)methylurea
SMILESNC(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C5H7N3O2S/c6-4(9)7-1-3-2-11-5(10)8-3/h2H,1H2,(H,8,10)(H3,6,7,9)
InChIKeyLFYXKCPKHUHJCQ-UHFFFAOYSA-N
MW173.20 g/mol
LogP-0.40
Rot. Bonds2

About (2-oxo-3H-1,3-thiazol-4-yl)methylurea

(2-oxo-3H-1,3-thiazol-4-yl)methylurea (PubChem CID 106380591) has the molecular formula C5H7N3O2S and a molecular weight of 173.20 g/mol. Its IUPAC name is (2-oxo-3H-1,3-thiazol-4-yl)methylurea.

Molecular Properties

Compound Name(2-oxo-3H-1,3-thiazol-4-yl)methylurea
PubChem CID106380591
Molecular FormulaC5H7N3O2S
Molecular Weight173.20 g/mol
Exact Mass173.03
IUPAC Name(2-oxo-3H-1,3-thiazol-4-yl)methylurea
SMILESNC(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C5H7N3O2S/c6-4(9)7-1-3-2-11-5(10)8-3/h2H,1H2,(H,8,10)(H3,6,7,9)
InChIKeyLFYXKCPKHUHJCQ-UHFFFAOYSA-N
XLogP-0.40
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.20
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-3H-1,3-thiazol-4-yl)methylurea?
The IUPAC name of (2-oxo-3H-1,3-thiazol-4-yl)methylurea (CID 106380591) is (2-oxo-3H-1,3-thiazol-4-yl)methylurea.
What is the SMILES notation for (2-oxo-3H-1,3-thiazol-4-yl)methylurea?
The canonical SMILES for (2-oxo-3H-1,3-thiazol-4-yl)methylurea is NC(=O)NCc1csc(=O)[nH]1.
What is the InChIKey of (2-oxo-3H-1,3-thiazol-4-yl)methylurea?
The InChIKey is LFYXKCPKHUHJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2S/c6-4(9)7-1-3-2-11-5(10)8-3/h2H,1H2,(H,8,10)(H3,6,7,9).
What are the key properties of (2-oxo-3H-1,3-thiazol-4-yl)methylurea?
(2-oxo-3H-1,3-thiazol-4-yl)methylurea has a molecular weight of 173.20 g/mol, XLogP of -0.40, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-3H-1,3-thiazol-4-yl)methylurea is sourced from PubChem (CID 106380591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).