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

C15H16FN3O2S — CID 94666979

IUPAC1-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-3-(1,3-thiazol-2-yl)urea
SMILESO=C(Nc1nccs1)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1
InChIInChI=1S/C15H16FN3O2S/c16-11-5-3-10(4-6-11)13(12-2-1-8-21-12)18-14(20)19-15-17-7-9-22-15/h3-7,9,12-13H,1-2,8H2,(H2,17,18,19,20)/t12-,13-/m1/s1
InChIKeyPEINLQPMLNBPGW-CHWSQXEVSA-N
MW321.38 g/mol
LogP3.32
Rot. Bonds4

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

1-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-3-(1,3-thiazol-2-yl)urea (PubChem CID 94666979) has the molecular formula C15H16FN3O2S and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-3-(1,3-thiazol-2-yl)urea
PubChem CID94666979
Molecular FormulaC15H16FN3O2S
Molecular Weight321.38 g/mol
Exact Mass321.09
IUPAC Name1-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-3-(1,3-thiazol-2-yl)urea
SMILESO=C(Nc1nccs1)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1
InChIInChI=1S/C15H16FN3O2S/c16-11-5-3-10(4-6-11)13(12-2-1-8-21-12)18-14(20)19-15-17-7-9-22-15/h3-7,9,12-13H,1-2,8H2,(H2,17,18,19,20)/t12-,13-/m1/s1
InChIKeyPEINLQPMLNBPGW-CHWSQXEVSA-N
XLogP3.32
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-3-pyridin-2-ylurea
CID 94667001
1-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3-(5-phenyl-1,3-thiazol-2-yl)urea
CID 60542644
N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 60547964
1-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-3-(1H-pyrazol-4-yl)urea
CID 94666591
1-(cyclopropylmethyl)-3-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]urea
CID 94666558
N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 60547934
1-(3-chlorophenyl)-3-[(4-fluorophenyl)-(oxolan-2-yl)methyl]urea
CID 60544137
N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-1H-pyrazole-5-carboxamide
CID 94633704
N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-thiophen-2-ylacetamide
CID 94633542
1-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-3-(1-methylpiperidin-4-yl)urea
CID 94666700
1-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3-(1-methylpiperidin-4-yl)urea
CID 75416372
1-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-3-[[(3S)-oxan-3-yl]methyl]urea
CID 94337716

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-3-(1,3-thiazol-2-yl)urea (CID 94666979) is 1-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-3-(1,3-thiazol-2-yl)urea is O=C(Nc1nccs1)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1.
What is the InChIKey of 1-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-3-(1,3-thiazol-2-yl)urea?
The InChIKey is PEINLQPMLNBPGW-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H16FN3O2S/c16-11-5-3-10(4-6-11)13(12-2-1-8-21-12)18-14(20)19-15-17-7-9-22-15/h3-7,9,12-13H,1-2,8H2,(H2,17,18,19,20)/t12-,13-/m1/s1.
What are the key properties of 1-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-3-(1,3-thiazol-2-yl)urea?
1-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-3-(1,3-thiazol-2-yl)urea has a molecular weight of 321.38 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 94666979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).