3-benzyl-1-[(4-fluorophenyl)methyl]-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea

C19H20FN3OS — CID 16764099

IUPAC3-benzyl-1-[(4-fluorophenyl)methyl]-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea
SMILESCC1CN=C(N(Cc2ccc(F)cc2)C(=O)NCc2ccccc2)S1
InChIInChI=1S/C19H20FN3OS/c1-14-11-22-19(25-14)23(13-16-7-9-17(20)10-8-16)18(24)21-12-15-5-3-2-4-6-15/h2-10,14H,11-13H2,1H3,(H,21,24)
InChIKeyATDSEEFBRZSIAY-UHFFFAOYSA-N
MW357.45 g/mol
LogP4.03
Rot. Bonds4

About 3-benzyl-1-[(4-fluorophenyl)methyl]-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea

3-benzyl-1-[(4-fluorophenyl)methyl]-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea (PubChem CID 16764099) has the molecular formula C19H20FN3OS and a molecular weight of 357.45 g/mol. Its IUPAC name is 3-benzyl-1-[(4-fluorophenyl)methyl]-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name3-benzyl-1-[(4-fluorophenyl)methyl]-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea
PubChem CID16764099
Molecular FormulaC19H20FN3OS
Molecular Weight357.45 g/mol
Exact Mass357.13
IUPAC Name3-benzyl-1-[(4-fluorophenyl)methyl]-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea
SMILESCC1CN=C(N(Cc2ccc(F)cc2)C(=O)NCc2ccccc2)S1
InChIInChI=1S/C19H20FN3OS/c1-14-11-22-19(25-14)23(13-16-7-9-17(20)10-8-16)18(24)21-12-15-5-3-2-4-6-15/h2-10,14H,11-13H2,1H3,(H,21,24)
InChIKeyATDSEEFBRZSIAY-UHFFFAOYSA-N
XLogP4.03
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorobenzyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 2997276
2-Benzyl-5-(benzylamino)-1,2,4-thiadiazol-3-one
CID 44452662
N-(1-phenylethyl)-2-{[6-phenyl-4-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-yl]sulfanyl}acetamide
CID 4389998
Pseudourea, 1,3-dibenzyl-2-ethyl-2-thio-, hydrobromide
CID 203314
N-[(4-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 2733074
1,5-Dibenzyl-4-methylsulfanyl-6,7-dihydro-1,3,5-triazepin-2-one
CID 10688468
4-Benzyl-5-benzylimino-2-methyl-1,2,4-thiadiazolidin-3-one
CID 24745726
N-(p-fluorophenyl)methyl-(S)-7-phenyl-1,4-thiazepane-4-carboxamide
CID 99903870
1-Benzyl-3-(3-methylsulfanylpropyl)-1-(2-phenylethyl)urea
CID 172438430
6-(Ethylthio)-1-(2,4,5-trifluorobenzyl)-1,3,5-triazine-2,4(1H,3H)-dione
CID 164674745
3-(tert-Butyl)-6-(ethylthio)-1-(2,4,5-trifluorobenzyl)-1,3,5-triazine-2,4(1H,3H)-dione
CID 164674893
3-[(4-Fluorophenyl)methyl]-1-[(4-methylphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione
CID 58295005

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-[(4-fluorophenyl)methyl]-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea?
The IUPAC name of 3-benzyl-1-[(4-fluorophenyl)methyl]-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea (CID 16764099) is 3-benzyl-1-[(4-fluorophenyl)methyl]-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 3-benzyl-1-[(4-fluorophenyl)methyl]-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea?
The canonical SMILES for 3-benzyl-1-[(4-fluorophenyl)methyl]-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea is CC1CN=C(N(Cc2ccc(F)cc2)C(=O)NCc2ccccc2)S1.
What is the InChIKey of 3-benzyl-1-[(4-fluorophenyl)methyl]-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea?
The InChIKey is ATDSEEFBRZSIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3OS/c1-14-11-22-19(25-14)23(13-16-7-9-17(20)10-8-16)18(24)21-12-15-5-3-2-4-6-15/h2-10,14H,11-13H2,1H3,(H,21,24).
What are the key properties of 3-benzyl-1-[(4-fluorophenyl)methyl]-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea?
3-benzyl-1-[(4-fluorophenyl)methyl]-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea has a molecular weight of 357.45 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-[(4-fluorophenyl)methyl]-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 16764099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).