1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-3-propan-2-ylurea

C8H13N3O2S — CID 106380594

IUPAC1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C8H13N3O2S/c1-5(2)10-7(12)9-3-6-4-14-8(13)11-6/h4-5H,3H2,1-2H3,(H,11,13)(H2,9,10,12)
InChIKeyUBDYFRLMJVKDAL-UHFFFAOYSA-N
MW215.28 g/mol
LogP0.64
Rot. Bonds3

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

1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-3-propan-2-ylurea (PubChem CID 106380594) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is 1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-3-propan-2-ylurea
PubChem CID106380594
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C8H13N3O2S/c1-5(2)10-7(12)9-3-6-4-14-8(13)11-6/h4-5H,3H2,1-2H3,(H,11,13)(H2,9,10,12)
InChIKeyUBDYFRLMJVKDAL-UHFFFAOYSA-N
XLogP0.64
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-3-propan-2-ylurea?
The IUPAC name of 1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-3-propan-2-ylurea (CID 106380594) is 1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-3-propan-2-ylurea is CC(C)NC(=O)NCc1csc(=O)[nH]1.
What is the InChIKey of 1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-3-propan-2-ylurea?
The InChIKey is UBDYFRLMJVKDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-5(2)10-7(12)9-3-6-4-14-8(13)11-6/h4-5H,3H2,1-2H3,(H,11,13)(H2,9,10,12).
What are the key properties of 1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-3-propan-2-ylurea?
1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-3-propan-2-ylurea has a molecular weight of 215.28 g/mol, XLogP of 0.64, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-3-propan-2-ylurea is sourced from PubChem (CID 106380594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).