1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea

C11H19N3OS — CID 108915169

IUPAC1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea
SMILESC/C(=C\NC(=O)NC1=NCCS1)C(C)(C)C
InChIInChI=1S/C11H19N3OS/c1-8(11(2,3)4)7-13-9(15)14-10-12-5-6-16-10/h7H,5-6H2,1-4H3,(H2,12,13,14,15)/b8-7+
InChIKeyQIBQARXJNNMUFJ-BQYQJAHWSA-N
MW241.36 g/mol
LogP2.34
Rot. Bonds1

About 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea

1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea (PubChem CID 108915169) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea.

Molecular Properties

Compound Name1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea
PubChem CID108915169
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea
SMILESC/C(=C\NC(=O)NC1=NCCS1)C(C)(C)C
InChIInChI=1S/C11H19N3OS/c1-8(11(2,3)4)7-13-9(15)14-10-12-5-6-16-10/h7H,5-6H2,1-4H3,(H2,12,13,14,15)/b8-7+
InChIKeyQIBQARXJNNMUFJ-BQYQJAHWSA-N
XLogP2.34
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea?
The IUPAC name of 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea (CID 108915169) is 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea.
What is the SMILES notation for 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea?
The canonical SMILES for 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea is C/C(=C\NC(=O)NC1=NCCS1)C(C)(C)C.
What is the InChIKey of 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea?
The InChIKey is QIBQARXJNNMUFJ-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-8(11(2,3)4)7-13-9(15)14-10-12-5-6-16-10/h7H,5-6H2,1-4H3,(H2,12,13,14,15)/b8-7+.
What are the key properties of 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea?
1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea has a molecular weight of 241.36 g/mol, XLogP of 2.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea is sourced from PubChem (CID 108915169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).