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

C20H20FN3OS — CID 110645409

IUPAC1-benzyl-3-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]urea
SMILESCc1nc(CNC(=O)NCc2ccccc2)sc1Cc1ccc(F)cc1
InChIInChI=1S/C20H20FN3OS/c1-14-18(11-15-7-9-17(21)10-8-15)26-19(24-14)13-23-20(25)22-12-16-5-3-2-4-6-16/h2-10H,11-13H2,1H3,(H2,22,23,25)
InChIKeyJZEBVNKDYGENJP-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.18
Rot. Bonds6

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

1-benzyl-3-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]urea (PubChem CID 110645409) has the molecular formula C20H20FN3OS and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-benzyl-3-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]urea
PubChem CID110645409
Molecular FormulaC20H20FN3OS
Molecular Weight369.47 g/mol
Exact Mass369.13
IUPAC Name1-benzyl-3-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]urea
SMILESCc1nc(CNC(=O)NCc2ccccc2)sc1Cc1ccc(F)cc1
InChIInChI=1S/C20H20FN3OS/c1-14-18(11-15-7-9-17(21)10-8-15)26-19(24-14)13-23-20(25)22-12-16-5-3-2-4-6-16/h2-10H,11-13H2,1H3,(H2,22,23,25)
InChIKeyJZEBVNKDYGENJP-UHFFFAOYSA-N
XLogP4.18
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]benzamide
CID 110645392
N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]cyclobutanecarboxamide
CID 110645417
2-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]acetic acid
CID 83970111
1-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-[(4-fluorophenyl)methyl]urea
CID 71795660
N-[(5-benzyl-4-methyl-1,3-thiazol-2-yl)methyl]-2-ethylbutanamide
CID 110421255
1-[(4-fluorophenyl)methyl]-3-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]urea
CID 71795691
N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]-2-(4-methylphenoxy)acetamide
CID 110645408
N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]ethanesulfonamide
CID 110645419
N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]oxolane-2-carboxamide
CID 110645386
2-(4-fluorophenyl)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide
CID 90546282
N-[(5-benzyl-4-methyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboxamide
CID 110421315
N-[(5-benzyl-4-methyl-1,3-thiazol-2-yl)methyl]-3-(2-methoxyphenyl)propanamide
CID 110421321

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]urea?
The IUPAC name of 1-benzyl-3-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]urea (CID 110645409) is 1-benzyl-3-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]urea.
What is the SMILES notation for 1-benzyl-3-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]urea?
The canonical SMILES for 1-benzyl-3-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]urea is Cc1nc(CNC(=O)NCc2ccccc2)sc1Cc1ccc(F)cc1.
What is the InChIKey of 1-benzyl-3-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]urea?
The InChIKey is JZEBVNKDYGENJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3OS/c1-14-18(11-15-7-9-17(21)10-8-15)26-19(24-14)13-23-20(25)22-12-16-5-3-2-4-6-16/h2-10H,11-13H2,1H3,(H2,22,23,25).
What are the key properties of 1-benzyl-3-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]urea?
1-benzyl-3-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]urea has a molecular weight of 369.47 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]urea is sourced from PubChem (CID 110645409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).