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

C13H15N3OS — CID 108903692

IUPAC1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea
SMILESCc1ccccc1/C=C/NC(=O)NC1=NCCS1
InChIInChI=1S/C13H15N3OS/c1-10-4-2-3-5-11(10)6-7-14-12(17)16-13-15-8-9-18-13/h2-7H,8-9H2,1H3,(H2,14,15,16,17)/b7-6+
InChIKeyWDHAKGPKEKYDLL-VOTSOKGWSA-N
MW261.35 g/mol
LogP2.37
Rot. Bonds2

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

1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea (PubChem CID 108903692) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea.

Molecular Properties

Compound Name1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea
PubChem CID108903692
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea
SMILESCc1ccccc1/C=C/NC(=O)NC1=NCCS1
InChIInChI=1S/C13H15N3OS/c1-10-4-2-3-5-11(10)6-7-14-12(17)16-13-15-8-9-18-13/h2-7H,8-9H2,1H3,(H2,14,15,16,17)/b7-6+
InChIKeyWDHAKGPKEKYDLL-VOTSOKGWSA-N
XLogP2.37
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(E)-2-(3-chlorophenyl)ethenyl]-3-(4,5-dihydro-1,3-thiazol-2-yl)urea
CID 108906672
1-(4-hydroxyphenyl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea
CID 108903472
1-[(E)-2-(2-methylphenyl)ethenyl]-3-(2,3,4-trifluorophenyl)urea
CID 108903751
1-[(E)-2-cyclopropylethenyl]-3-(4,5-dihydro-1,3-thiazol-2-yl)urea
CID 108915915
1-(5-bromo-2-pyridinyl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea
CID 108903794
1-cyclododecyl-3-[(E)-2-(2-methylphenyl)ethenyl]urea
CID 108903567
1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea
CID 108915169
1-(2-methoxyethyl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea
CID 108903488
1-[(E)-2-(2-methylphenyl)ethenyl]-3-(2-phenylethyl)urea
CID 108903493
1-(2-methylcyclohexyl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea
CID 108903627
1-(1,3-benzodioxol-5-ylmethyl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea
CID 108903510
1-(4,5-dihydro-1,3-thiazol-2-yl)-3-naphthalen-1-ylurea
CID 108884683

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea?
The IUPAC name of 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea (CID 108903692) is 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea.
What is the SMILES notation for 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea?
The canonical SMILES for 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea is Cc1ccccc1/C=C/NC(=O)NC1=NCCS1.
What is the InChIKey of 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea?
The InChIKey is WDHAKGPKEKYDLL-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-10-4-2-3-5-11(10)6-7-14-12(17)16-13-15-8-9-18-13/h2-7H,8-9H2,1H3,(H2,14,15,16,17)/b7-6+.
What are the key properties of 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea?
1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea has a molecular weight of 261.35 g/mol, XLogP of 2.37, 2 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-(2-methylphenyl)ethenyl]urea is sourced from PubChem (CID 108903692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).