1-[(6-propan-2-yloxy-3-pyridinyl)methyl]-3-[(1S)-1-thiophen-2-ylethyl]urea

C16H21N3O2S — CID 51953041

IUPAC1-[(6-propan-2-yloxy-3-pyridinyl)methyl]-3-[(1S)-1-thiophen-2-ylethyl]urea
SMILESCC(C)Oc1ccc(CNC(=O)N[C@@H](C)c2cccs2)cn1
InChIInChI=1S/C16H21N3O2S/c1-11(2)21-15-7-6-13(9-17-15)10-18-16(20)19-12(3)14-5-4-8-22-14/h4-9,11-12H,10H2,1-3H3,(H2,18,19,20)/t12-/m0/s1
InChIKeyFJBXLOFTFHTBPB-LBPRGKRZSA-N
MW319.43 g/mol
LogP3.49
Rot. Bonds6

About 1-[(6-propan-2-yloxy-3-pyridinyl)methyl]-3-[(1S)-1-thiophen-2-ylethyl]urea

1-[(6-propan-2-yloxy-3-pyridinyl)methyl]-3-[(1S)-1-thiophen-2-ylethyl]urea (PubChem CID 51953041) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 1-[(6-propan-2-yloxy-3-pyridinyl)methyl]-3-[(1S)-1-thiophen-2-ylethyl]urea.

Molecular Properties

Compound Name1-[(6-propan-2-yloxy-3-pyridinyl)methyl]-3-[(1S)-1-thiophen-2-ylethyl]urea
PubChem CID51953041
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name1-[(6-propan-2-yloxy-3-pyridinyl)methyl]-3-[(1S)-1-thiophen-2-ylethyl]urea
SMILESCC(C)Oc1ccc(CNC(=O)N[C@@H](C)c2cccs2)cn1
InChIInChI=1S/C16H21N3O2S/c1-11(2)21-15-7-6-13(9-17-15)10-18-16(20)19-12(3)14-5-4-8-22-14/h4-9,11-12H,10H2,1-3H3,(H2,18,19,20)/t12-/m0/s1
InChIKeyFJBXLOFTFHTBPB-LBPRGKRZSA-N
XLogP3.49
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(6-propan-2-yloxy-3-pyridinyl)methyl]-3-[(1S)-1-thiophen-2-ylethyl]urea with MolForge

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Related Compounds

1-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea
CID 94114303
1-[(6-propan-2-yloxy-3-pyridinyl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94206278
2-methyl-1-[(6-propan-2-yloxy-3-pyridinyl)methyl]-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111260114
1-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea
CID 55743916
N-[(6-propan-2-yloxy-3-pyridinyl)methyl]thiophene-3-carboxamide
CID 47042880
N-[(6-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylethanamine
CID 43206293
1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea
CID 94178624
(2S)-2-methylsulfonyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]propanamide
CID 94173164
1-(2,5-dichlorophenyl)-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea
CID 55808925
1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea
CID 55744571
2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111284804
(2R)-2-[(6-methoxy-3-pyridinyl)methylcarbamoylamino]propanoic acid
CID 62992130

Frequently Asked Questions

What is the IUPAC name of 1-[(6-propan-2-yloxy-3-pyridinyl)methyl]-3-[(1S)-1-thiophen-2-ylethyl]urea?
The IUPAC name of 1-[(6-propan-2-yloxy-3-pyridinyl)methyl]-3-[(1S)-1-thiophen-2-ylethyl]urea (CID 51953041) is 1-[(6-propan-2-yloxy-3-pyridinyl)methyl]-3-[(1S)-1-thiophen-2-ylethyl]urea.
What is the SMILES notation for 1-[(6-propan-2-yloxy-3-pyridinyl)methyl]-3-[(1S)-1-thiophen-2-ylethyl]urea?
The canonical SMILES for 1-[(6-propan-2-yloxy-3-pyridinyl)methyl]-3-[(1S)-1-thiophen-2-ylethyl]urea is CC(C)Oc1ccc(CNC(=O)N[C@@H](C)c2cccs2)cn1.
What is the InChIKey of 1-[(6-propan-2-yloxy-3-pyridinyl)methyl]-3-[(1S)-1-thiophen-2-ylethyl]urea?
The InChIKey is FJBXLOFTFHTBPB-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-11(2)21-15-7-6-13(9-17-15)10-18-16(20)19-12(3)14-5-4-8-22-14/h4-9,11-12H,10H2,1-3H3,(H2,18,19,20)/t12-/m0/s1.
What are the key properties of 1-[(6-propan-2-yloxy-3-pyridinyl)methyl]-3-[(1S)-1-thiophen-2-ylethyl]urea?
1-[(6-propan-2-yloxy-3-pyridinyl)methyl]-3-[(1S)-1-thiophen-2-ylethyl]urea has a molecular weight of 319.43 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-propan-2-yloxy-3-pyridinyl)methyl]-3-[(1S)-1-thiophen-2-ylethyl]urea is sourced from PubChem (CID 51953041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).