1-(3-hydroxybutyl)-3-(5-methyl-1,3-thiazol-2-yl)urea

C9H15N3O2S — CID 71931128

IUPAC1-(3-hydroxybutyl)-3-(5-methyl-1,3-thiazol-2-yl)urea
SMILESCc1cnc(NC(=O)NCCC(C)O)s1
InChIInChI=1S/C9H15N3O2S/c1-6(13)3-4-10-8(14)12-9-11-5-7(2)15-9/h5-6,13H,3-4H2,1-2H3,(H2,10,11,12,14)
InChIKeyVZFWHUASQGVXAG-UHFFFAOYSA-N
MW229.31 g/mol
LogP1.34
Rot. Bonds4

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

1-(3-hydroxybutyl)-3-(5-methyl-1,3-thiazol-2-yl)urea (PubChem CID 71931128) has the molecular formula C9H15N3O2S and a molecular weight of 229.31 g/mol. Its IUPAC name is 1-(3-hydroxybutyl)-3-(5-methyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(3-hydroxybutyl)-3-(5-methyl-1,3-thiazol-2-yl)urea
PubChem CID71931128
Molecular FormulaC9H15N3O2S
Molecular Weight229.31 g/mol
Exact Mass229.09
IUPAC Name1-(3-hydroxybutyl)-3-(5-methyl-1,3-thiazol-2-yl)urea
SMILESCc1cnc(NC(=O)NCCC(C)O)s1
InChIInChI=1S/C9H15N3O2S/c1-6(13)3-4-10-8(14)12-9-11-5-7(2)15-9/h5-6,13H,3-4H2,1-2H3,(H2,10,11,12,14)
InChIKeyVZFWHUASQGVXAG-UHFFFAOYSA-N
XLogP1.34
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxybutyl)-3-(5-methyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(3-hydroxybutyl)-3-(5-methyl-1,3-thiazol-2-yl)urea (CID 71931128) is 1-(3-hydroxybutyl)-3-(5-methyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(3-hydroxybutyl)-3-(5-methyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(3-hydroxybutyl)-3-(5-methyl-1,3-thiazol-2-yl)urea is Cc1cnc(NC(=O)NCCC(C)O)s1.
What is the InChIKey of 1-(3-hydroxybutyl)-3-(5-methyl-1,3-thiazol-2-yl)urea?
The InChIKey is VZFWHUASQGVXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-6(13)3-4-10-8(14)12-9-11-5-7(2)15-9/h5-6,13H,3-4H2,1-2H3,(H2,10,11,12,14).
What are the key properties of 1-(3-hydroxybutyl)-3-(5-methyl-1,3-thiazol-2-yl)urea?
1-(3-hydroxybutyl)-3-(5-methyl-1,3-thiazol-2-yl)urea has a molecular weight of 229.31 g/mol, XLogP of 1.34, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxybutyl)-3-(5-methyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 71931128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).