1,1-bis(prop-2-enyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea

C11H12F3N3OS — CID 78874535

IUPAC1,1-bis(prop-2-enyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea
SMILESC=CCN(CC=C)C(=O)Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C11H12F3N3OS/c1-3-5-17(6-4-2)10(18)16-9-15-8(7-19-9)11(12,13)14/h3-4,7H,1-2,5-6H2,(H,15,16,18)
InChIKeyZFHJLUQYZZERKZ-UHFFFAOYSA-N
MW291.30 g/mol
LogP3.37
Rot. Bonds5

About 1,1-bis(prop-2-enyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea

1,1-bis(prop-2-enyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea (PubChem CID 78874535) has the molecular formula C11H12F3N3OS and a molecular weight of 291.30 g/mol. Its IUPAC name is 1,1-bis(prop-2-enyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1,1-bis(prop-2-enyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea
PubChem CID78874535
Molecular FormulaC11H12F3N3OS
Molecular Weight291.30 g/mol
Exact Mass291.07
IUPAC Name1,1-bis(prop-2-enyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea
SMILESC=CCN(CC=C)C(=O)Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C11H12F3N3OS/c1-3-5-17(6-4-2)10(18)16-9-15-8(7-19-9)11(12,13)14/h3-4,7H,1-2,5-6H2,(H,15,16,18)
InChIKeyZFHJLUQYZZERKZ-UHFFFAOYSA-N
XLogP3.37
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-1-(pyridin-4-ylmethyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea
CID 78874979
1-[(4-chlorophenyl)methyl]-1-cyclopropyl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea
CID 78892945
N-methyl-N-prop-2-enyl-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide
CID 46113897
3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamoylamino]propanoic acid
CID 122074704
N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]formamide
CID 143219890
1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea
CID 78874975
N-(3,4-dichlorophenyl)-2-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamoyl]amino]acetamide
CID 78875068
2-[prop-2-enyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid
CID 79276710
N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide
CID 43068585
2-methyl-2-phenyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
CID 78863556
N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-prop-2-enylpropanamide
CID 42768353
2-(4-ethoxyphenoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
CID 86980074

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(prop-2-enyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea?
The IUPAC name of 1,1-bis(prop-2-enyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea (CID 78874535) is 1,1-bis(prop-2-enyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1,1-bis(prop-2-enyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1,1-bis(prop-2-enyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea is C=CCN(CC=C)C(=O)Nc1nc(C(F)(F)F)cs1.
What is the InChIKey of 1,1-bis(prop-2-enyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea?
The InChIKey is ZFHJLUQYZZERKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3OS/c1-3-5-17(6-4-2)10(18)16-9-15-8(7-19-9)11(12,13)14/h3-4,7H,1-2,5-6H2,(H,15,16,18).
What are the key properties of 1,1-bis(prop-2-enyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea?
1,1-bis(prop-2-enyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea has a molecular weight of 291.30 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(prop-2-enyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 78874535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).