(5-propan-2-yl-1,3-thiazol-2-yl)urea

C7H11N3OS — CID 54397790

IUPAC(5-propan-2-yl-1,3-thiazol-2-yl)urea
SMILESCC(C)c1cnc(NC(N)=O)s1
InChIInChI=1S/C7H11N3OS/c1-4(2)5-3-9-7(12-5)10-6(8)11/h3-4H,1-2H3,(H3,8,9,10,11)
InChIKeyVLGGGXLFXCJXRT-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.76
Rot. Bonds2

About (5-propan-2-yl-1,3-thiazol-2-yl)urea

(5-propan-2-yl-1,3-thiazol-2-yl)urea (PubChem CID 54397790) has the molecular formula C7H11N3OS and a molecular weight of 185.25 g/mol. Its IUPAC name is (5-propan-2-yl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name(5-propan-2-yl-1,3-thiazol-2-yl)urea
PubChem CID54397790
Molecular FormulaC7H11N3OS
Molecular Weight185.25 g/mol
Exact Mass185.06
IUPAC Name(5-propan-2-yl-1,3-thiazol-2-yl)urea
SMILESCC(C)c1cnc(NC(N)=O)s1
InChIInChI=1S/C7H11N3OS/c1-4(2)5-3-9-7(12-5)10-6(8)11/h3-4H,1-2H3,(H3,8,9,10,11)
InChIKeyVLGGGXLFXCJXRT-UHFFFAOYSA-N
XLogP1.76
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-propan-2-yl-1,3-thiazol-2-yl)urea?
The IUPAC name of (5-propan-2-yl-1,3-thiazol-2-yl)urea (CID 54397790) is (5-propan-2-yl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for (5-propan-2-yl-1,3-thiazol-2-yl)urea?
The canonical SMILES for (5-propan-2-yl-1,3-thiazol-2-yl)urea is CC(C)c1cnc(NC(N)=O)s1.
What is the InChIKey of (5-propan-2-yl-1,3-thiazol-2-yl)urea?
The InChIKey is VLGGGXLFXCJXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS/c1-4(2)5-3-9-7(12-5)10-6(8)11/h3-4H,1-2H3,(H3,8,9,10,11).
What are the key properties of (5-propan-2-yl-1,3-thiazol-2-yl)urea?
(5-propan-2-yl-1,3-thiazol-2-yl)urea has a molecular weight of 185.25 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-propan-2-yl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 54397790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).