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

C21H20FN3O2S — CID 60542644

IUPAC1-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3-(5-phenyl-1,3-thiazol-2-yl)urea
SMILESO=C(Nc1ncc(-c2ccccc2)s1)NC(c1ccc(F)cc1)C1CCCO1
InChIInChI=1S/C21H20FN3O2S/c22-16-10-8-15(9-11-16)19(17-7-4-12-27-17)24-20(26)25-21-23-13-18(28-21)14-5-2-1-3-6-14/h1-3,5-6,8-11,13,17,19H,4,7,12H2,(H2,23,24,25,26)
InChIKeyMGASNYMKOGHSSQ-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.99
Rot. Bonds5

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

1-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3-(5-phenyl-1,3-thiazol-2-yl)urea (PubChem CID 60542644) has the molecular formula C21H20FN3O2S and a molecular weight of 397.48 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3-(5-phenyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3-(5-phenyl-1,3-thiazol-2-yl)urea
PubChem CID60542644
Molecular FormulaC21H20FN3O2S
Molecular Weight397.48 g/mol
Exact Mass397.13
IUPAC Name1-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3-(5-phenyl-1,3-thiazol-2-yl)urea
SMILESO=C(Nc1ncc(-c2ccccc2)s1)NC(c1ccc(F)cc1)C1CCCO1
InChIInChI=1S/C21H20FN3O2S/c22-16-10-8-15(9-11-16)19(17-7-4-12-27-17)24-20(26)25-21-23-13-18(28-21)14-5-2-1-3-6-14/h1-3,5-6,8-11,13,17,19H,4,7,12H2,(H2,23,24,25,26)
InChIKeyMGASNYMKOGHSSQ-UHFFFAOYSA-N
XLogP4.99
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-3-(1,3-thiazol-2-yl)urea
CID 94666979
1-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-3-pyridin-2-ylurea
CID 94667001
1-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-3-(1H-pyrazol-4-yl)urea
CID 94666591
1-(3-chlorophenyl)-3-[(4-fluorophenyl)-(oxolan-2-yl)methyl]urea
CID 60544137
1-(cyclopropylmethyl)-3-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]urea
CID 94666558
1-[1-(3-bromophenyl)ethyl]-3-[(4-fluorophenyl)-(oxolan-2-yl)methyl]urea
CID 60547734
1-(4-hydroxycyclohexyl)-3-(5-phenyl-1,3-thiazol-2-yl)urea
CID 110890971
(5R)-N-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 95163432
N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-1H-pyrazole-5-carboxamide
CID 94633704
N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 94633539
N-(5-phenyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 10125249
1-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3-(1-methylpiperidin-4-yl)urea
CID 75416372

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3-(5-phenyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3-(5-phenyl-1,3-thiazol-2-yl)urea (CID 60542644) is 1-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3-(5-phenyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3-(5-phenyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3-(5-phenyl-1,3-thiazol-2-yl)urea is O=C(Nc1ncc(-c2ccccc2)s1)NC(c1ccc(F)cc1)C1CCCO1.
What is the InChIKey of 1-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3-(5-phenyl-1,3-thiazol-2-yl)urea?
The InChIKey is MGASNYMKOGHSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2S/c22-16-10-8-15(9-11-16)19(17-7-4-12-27-17)24-20(26)25-21-23-13-18(28-21)14-5-2-1-3-6-14/h1-3,5-6,8-11,13,17,19H,4,7,12H2,(H2,23,24,25,26).
What are the key properties of 1-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3-(5-phenyl-1,3-thiazol-2-yl)urea?
1-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3-(5-phenyl-1,3-thiazol-2-yl)urea has a molecular weight of 397.48 g/mol, XLogP of 4.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3-(5-phenyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 60542644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).