1-(2-hydroxyethyl)-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-prop-2-enylurea

C16H19N3O2S — CID 111424204

IUPAC1-(2-hydroxyethyl)-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-prop-2-enylurea
SMILESC=CCN(CCO)C(=O)NCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H19N3O2S/c1-2-8-19(9-10-20)16(21)17-11-15-18-14(12-22-15)13-6-4-3-5-7-13/h2-7,12,20H,1,8-11H2,(H,17,21)
InChIKeyCANCJRTWBRZYHC-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.50
Rot. Bonds7

About 1-(2-hydroxyethyl)-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-prop-2-enylurea

1-(2-hydroxyethyl)-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-prop-2-enylurea (PubChem CID 111424204) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-prop-2-enylurea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-prop-2-enylurea
PubChem CID111424204
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name1-(2-hydroxyethyl)-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-prop-2-enylurea
SMILESC=CCN(CCO)C(=O)NCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H19N3O2S/c1-2-8-19(9-10-20)16(21)17-11-15-18-14(12-22-15)13-6-4-3-5-7-13/h2-7,12,20H,1,8-11H2,(H,17,21)
InChIKeyCANCJRTWBRZYHC-UHFFFAOYSA-N
XLogP2.50
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.50
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

2-[[bis(prop-2-enyl)carbamoylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66378783
1-(2-hydroxyethyl)-3-phenyl-1-prop-2-enylurea
CID 111423629
1-(2-hydroxyethyl)-3-[(4-hydroxyphenyl)methyl]-1-prop-2-enylurea
CID 111424142
N-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62543018
N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
CID 2675968
N,N-diethyl-2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]acetamide
CID 115608401
N-[4-[2-[(diethylcarbamoylamino)methyl]-1,3-thiazol-4-yl]phenyl]acetamide
CID 110351825
6-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1H-pyridazine-3-carboxamide
CID 51087114
2-[[[2-hydroxyethyl(propyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66381131
3-[(3-chlorophenyl)methyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111424077
1-(2-hydroxyethyl)-3-[(3-methylphenyl)methyl]-1-prop-2-enylurea
CID 111424149
2-phenyl-N,N-bis(prop-2-enyl)-1,3-thiazole-4-carboxamide
CID 134022260

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-prop-2-enylurea?
The IUPAC name of 1-(2-hydroxyethyl)-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-prop-2-enylurea (CID 111424204) is 1-(2-hydroxyethyl)-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-prop-2-enylurea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-prop-2-enylurea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-prop-2-enylurea is C=CCN(CCO)C(=O)NCc1nc(-c2ccccc2)cs1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-prop-2-enylurea?
The InChIKey is CANCJRTWBRZYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-2-8-19(9-10-20)16(21)17-11-15-18-14(12-22-15)13-6-4-3-5-7-13/h2-7,12,20H,1,8-11H2,(H,17,21).
What are the key properties of 1-(2-hydroxyethyl)-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-prop-2-enylurea?
1-(2-hydroxyethyl)-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-prop-2-enylurea has a molecular weight of 317.41 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-prop-2-enylurea is sourced from PubChem (CID 111424204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).