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

C12H19N3O2S — CID 111439122

IUPAC1-(2-hydroxyethyl)-1-prop-2-enyl-3-[1-(1,3-thiazol-2-yl)propyl]urea
SMILESC=CCN(CCO)C(=O)NC(CC)c1nccs1
InChIInChI=1S/C12H19N3O2S/c1-3-6-15(7-8-16)12(17)14-10(4-2)11-13-5-9-18-11/h3,5,9-10,16H,1,4,6-8H2,2H3,(H,14,17)
InChIKeyGQYYTXFKAQFMTJ-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.78
Rot. Bonds7

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

1-(2-hydroxyethyl)-1-prop-2-enyl-3-[1-(1,3-thiazol-2-yl)propyl]urea (PubChem CID 111439122) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-1-prop-2-enyl-3-[1-(1,3-thiazol-2-yl)propyl]urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-1-prop-2-enyl-3-[1-(1,3-thiazol-2-yl)propyl]urea
PubChem CID111439122
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name1-(2-hydroxyethyl)-1-prop-2-enyl-3-[1-(1,3-thiazol-2-yl)propyl]urea
SMILESC=CCN(CCO)C(=O)NC(CC)c1nccs1
InChIInChI=1S/C12H19N3O2S/c1-3-6-15(7-8-16)12(17)14-10(4-2)11-13-5-9-18-11/h3,5,9-10,16H,1,4,6-8H2,2H3,(H,14,17)
InChIKeyGQYYTXFKAQFMTJ-UHFFFAOYSA-N
XLogP1.78
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2-hydroxyethyl)-1-propyl-3-[1-(1,3-thiazol-2-yl)propyl]urea
CID 111439127
1-(2-hydroxyethyl)-3-propan-2-yl-1-prop-2-enylurea
CID 115633504
N-[1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
CID 115642007
2,2-dimethyl-3-oxo-3-[1-(1,3-thiazol-2-yl)propylamino]propanoic acid
CID 82821210
tert-butyl N-[1-(1,3-thiazol-2-yl)propyl]carbamate
CID 64688740
2-[4-(dimethylamino)phenyl]-N-[1-(1,3-thiazol-2-yl)propyl]acetamide
CID 91765781
(2R)-2-[[2-hydroxyethyl(prop-2-enyl)carbamoyl]amino]-3-methylbutanoic acid
CID 104869582
1-(aminomethyl)-N-[1-(1,3-thiazol-2-yl)propyl]cyclohexane-1-carboxamide
CID 115437914
2-(1-aminoethyl)-N-[1-(1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide
CID 66389189
2-cyclopentyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]acetamide
CID 99630332
(2R)-3,3-dimethyl-2-[1-(1,3-thiazol-2-yl)propylcarbamoylamino]butanoic acid
CID 103928082
2-(4-sulfanylphenyl)-N-[1-(1,3-thiazol-2-yl)propyl]acetamide
CID 107030803

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-1-prop-2-enyl-3-[1-(1,3-thiazol-2-yl)propyl]urea?
The IUPAC name of 1-(2-hydroxyethyl)-1-prop-2-enyl-3-[1-(1,3-thiazol-2-yl)propyl]urea (CID 111439122) is 1-(2-hydroxyethyl)-1-prop-2-enyl-3-[1-(1,3-thiazol-2-yl)propyl]urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-1-prop-2-enyl-3-[1-(1,3-thiazol-2-yl)propyl]urea?
The canonical SMILES for 1-(2-hydroxyethyl)-1-prop-2-enyl-3-[1-(1,3-thiazol-2-yl)propyl]urea is C=CCN(CCO)C(=O)NC(CC)c1nccs1.
What is the InChIKey of 1-(2-hydroxyethyl)-1-prop-2-enyl-3-[1-(1,3-thiazol-2-yl)propyl]urea?
The InChIKey is GQYYTXFKAQFMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-3-6-15(7-8-16)12(17)14-10(4-2)11-13-5-9-18-11/h3,5,9-10,16H,1,4,6-8H2,2H3,(H,14,17).
What are the key properties of 1-(2-hydroxyethyl)-1-prop-2-enyl-3-[1-(1,3-thiazol-2-yl)propyl]urea?
1-(2-hydroxyethyl)-1-prop-2-enyl-3-[1-(1,3-thiazol-2-yl)propyl]urea has a molecular weight of 269.37 g/mol, XLogP of 1.78, 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-prop-2-enyl-3-[1-(1,3-thiazol-2-yl)propyl]urea is sourced from PubChem (CID 111439122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).