4,5-dihydro-1,3-thiazol-2-ylurea

C4H7N3OS — CID 568340

IUPAC4,5-dihydro-1,3-thiazol-2-ylurea
SMILESNC(=O)NC1=NCCS1
InChIInChI=1S/C4H7N3OS/c5-3(8)7-4-6-1-2-9-4/h1-2H2,(H3,5,6,7,8)
InChIKeyQFHFVQOVGBVYBP-UHFFFAOYSA-N
MW145.19 g/mol
LogP-0.24
Rot. Bonds

About 4,5-dihydro-1,3-thiazol-2-ylurea

4,5-dihydro-1,3-thiazol-2-ylurea (PubChem CID 568340) has the molecular formula C4H7N3OS and a molecular weight of 145.19 g/mol. Its IUPAC name is 4,5-dihydro-1,3-thiazol-2-ylurea.

Molecular Properties

Compound Name4,5-dihydro-1,3-thiazol-2-ylurea
PubChem CID568340
Molecular FormulaC4H7N3OS
Molecular Weight145.19 g/mol
Exact Mass145.03
IUPAC Name4,5-dihydro-1,3-thiazol-2-ylurea
SMILESNC(=O)NC1=NCCS1
InChIInChI=1S/C4H7N3OS/c5-3(8)7-4-6-1-2-9-4/h1-2H2,(H3,5,6,7,8)
InChIKeyQFHFVQOVGBVYBP-UHFFFAOYSA-N
XLogP-0.24
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.19
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1,3-thiazol-2-ylurea?
The IUPAC name of 4,5-dihydro-1,3-thiazol-2-ylurea (CID 568340) is 4,5-dihydro-1,3-thiazol-2-ylurea.
What is the SMILES notation for 4,5-dihydro-1,3-thiazol-2-ylurea?
The canonical SMILES for 4,5-dihydro-1,3-thiazol-2-ylurea is NC(=O)NC1=NCCS1.
What is the InChIKey of 4,5-dihydro-1,3-thiazol-2-ylurea?
The InChIKey is QFHFVQOVGBVYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3OS/c5-3(8)7-4-6-1-2-9-4/h1-2H2,(H3,5,6,7,8).
What are the key properties of 4,5-dihydro-1,3-thiazol-2-ylurea?
4,5-dihydro-1,3-thiazol-2-ylurea has a molecular weight of 145.19 g/mol, XLogP of -0.24, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1,3-thiazol-2-ylurea is sourced from PubChem (CID 568340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).