1-(2-hydroxyethyl)-1-propyl-3-[1-(1,3-thiazol-2-yl)propyl]urea

C12H21N3O2S — CID 111439127

IUPAC1-(2-hydroxyethyl)-1-propyl-3-[1-(1,3-thiazol-2-yl)propyl]urea
SMILESCCCN(CCO)C(=O)NC(CC)c1nccs1
InChIInChI=1S/C12H21N3O2S/c1-3-6-15(7-8-16)12(17)14-10(4-2)11-13-5-9-18-11/h5,9-10,16H,3-4,6-8H2,1-2H3,(H,14,17)
InChIKeyCEXXEOCEUXTHOK-UHFFFAOYSA-N
MW271.39 g/mol
LogP2.01
Rot. Bonds7

About 1-(2-hydroxyethyl)-1-propyl-3-[1-(1,3-thiazol-2-yl)propyl]urea

1-(2-hydroxyethyl)-1-propyl-3-[1-(1,3-thiazol-2-yl)propyl]urea (PubChem CID 111439127) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-1-propyl-3-[1-(1,3-thiazol-2-yl)propyl]urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-1-propyl-3-[1-(1,3-thiazol-2-yl)propyl]urea
PubChem CID111439127
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name1-(2-hydroxyethyl)-1-propyl-3-[1-(1,3-thiazol-2-yl)propyl]urea
SMILESCCCN(CCO)C(=O)NC(CC)c1nccs1
InChIInChI=1S/C12H21N3O2S/c1-3-6-15(7-8-16)12(17)14-10(4-2)11-13-5-9-18-11/h5,9-10,16H,3-4,6-8H2,1-2H3,(H,14,17)
InChIKeyCEXXEOCEUXTHOK-UHFFFAOYSA-N
XLogP2.01
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-1-propyl-3-[1-(1,3-thiazol-2-yl)propyl]urea?
The IUPAC name of 1-(2-hydroxyethyl)-1-propyl-3-[1-(1,3-thiazol-2-yl)propyl]urea (CID 111439127) is 1-(2-hydroxyethyl)-1-propyl-3-[1-(1,3-thiazol-2-yl)propyl]urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-1-propyl-3-[1-(1,3-thiazol-2-yl)propyl]urea?
The canonical SMILES for 1-(2-hydroxyethyl)-1-propyl-3-[1-(1,3-thiazol-2-yl)propyl]urea is CCCN(CCO)C(=O)NC(CC)c1nccs1.
What is the InChIKey of 1-(2-hydroxyethyl)-1-propyl-3-[1-(1,3-thiazol-2-yl)propyl]urea?
The InChIKey is CEXXEOCEUXTHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-3-6-15(7-8-16)12(17)14-10(4-2)11-13-5-9-18-11/h5,9-10,16H,3-4,6-8H2,1-2H3,(H,14,17).
What are the key properties of 1-(2-hydroxyethyl)-1-propyl-3-[1-(1,3-thiazol-2-yl)propyl]urea?
1-(2-hydroxyethyl)-1-propyl-3-[1-(1,3-thiazol-2-yl)propyl]urea has a molecular weight of 271.39 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-1-propyl-3-[1-(1,3-thiazol-2-yl)propyl]urea is sourced from PubChem (CID 111439127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).