1-(3-fluoro-2-pyridinyl)-3-[(1S)-1-thiophen-2-ylethyl]urea

C12H12FN3OS — CID 99840259

IUPAC1-(3-fluoro-2-pyridinyl)-3-[(1S)-1-thiophen-2-ylethyl]urea
SMILESC[C@H](NC(=O)Nc1ncccc1F)c1cccs1
InChIInChI=1S/C12H12FN3OS/c1-8(10-5-3-7-18-10)15-12(17)16-11-9(13)4-2-6-14-11/h2-8H,1H3,(H2,14,15,16,17)/t8-/m0/s1
InChIKeyYKRURVJMAUILTN-QMMMGPOBSA-N
MW265.31 g/mol
LogP3.16
Rot. Bonds3

About 1-(3-fluoro-2-pyridinyl)-3-[(1S)-1-thiophen-2-ylethyl]urea

1-(3-fluoro-2-pyridinyl)-3-[(1S)-1-thiophen-2-ylethyl]urea (PubChem CID 99840259) has the molecular formula C12H12FN3OS and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-(3-fluoro-2-pyridinyl)-3-[(1S)-1-thiophen-2-ylethyl]urea.

Molecular Properties

Compound Name1-(3-fluoro-2-pyridinyl)-3-[(1S)-1-thiophen-2-ylethyl]urea
PubChem CID99840259
Molecular FormulaC12H12FN3OS
Molecular Weight265.31 g/mol
Exact Mass265.07
IUPAC Name1-(3-fluoro-2-pyridinyl)-3-[(1S)-1-thiophen-2-ylethyl]urea
SMILESC[C@H](NC(=O)Nc1ncccc1F)c1cccs1
InChIInChI=1S/C12H12FN3OS/c1-8(10-5-3-7-18-10)15-12(17)16-11-9(13)4-2-6-14-11/h2-8H,1H3,(H2,14,15,16,17)/t8-/m0/s1
InChIKeyYKRURVJMAUILTN-QMMMGPOBSA-N
XLogP3.16
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-pyrimidin-4-yl-3-[(1R)-1-thiophen-2-ylethyl]urea
CID 99840557
1-phenyl-3-[(1R)-1-thiophen-2-ylethyl]urea
CID 1158599
1-phenyl-3-[(1S)-1-thiophen-2-ylethyl]urea
CID 1158597
1-(3-chloro-2-fluorophenyl)-3-(1-thiophen-2-ylethyl)urea
CID 47133061
N-(3-fluoro-2-pyridinyl)propanamide
CID 130249129
methyl 2-(1-thiophen-2-ylethylamino)pyridine-3-carboxylate
CID 60721902
1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(1-thiophen-2-ylethyl)urea
CID 51081847
2-(4-fluorophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]pyridine-3-carboxamide
CID 18734935
2-[[(1R)-1-thiophen-2-ylethyl]carbamoylamino]thiophene-3-carboxylic acid
CID 81409009
N-[(1R)-1-thiophen-2-ylethyl]prop-2-enamide
CID 81408740
1-(5-chloro-2-methylphenyl)-3-(1-thiophen-2-ylethyl)urea
CID 17181621
2-[[(1R)-1-thiophen-2-ylethyl]carbamoylamino]propanediamide
CID 36974814

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-pyridinyl)-3-[(1S)-1-thiophen-2-ylethyl]urea?
The IUPAC name of 1-(3-fluoro-2-pyridinyl)-3-[(1S)-1-thiophen-2-ylethyl]urea (CID 99840259) is 1-(3-fluoro-2-pyridinyl)-3-[(1S)-1-thiophen-2-ylethyl]urea.
What is the SMILES notation for 1-(3-fluoro-2-pyridinyl)-3-[(1S)-1-thiophen-2-ylethyl]urea?
The canonical SMILES for 1-(3-fluoro-2-pyridinyl)-3-[(1S)-1-thiophen-2-ylethyl]urea is C[C@H](NC(=O)Nc1ncccc1F)c1cccs1.
What is the InChIKey of 1-(3-fluoro-2-pyridinyl)-3-[(1S)-1-thiophen-2-ylethyl]urea?
The InChIKey is YKRURVJMAUILTN-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H12FN3OS/c1-8(10-5-3-7-18-10)15-12(17)16-11-9(13)4-2-6-14-11/h2-8H,1H3,(H2,14,15,16,17)/t8-/m0/s1.
What are the key properties of 1-(3-fluoro-2-pyridinyl)-3-[(1S)-1-thiophen-2-ylethyl]urea?
1-(3-fluoro-2-pyridinyl)-3-[(1S)-1-thiophen-2-ylethyl]urea has a molecular weight of 265.31 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-pyridinyl)-3-[(1S)-1-thiophen-2-ylethyl]urea is sourced from PubChem (CID 99840259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).