3-[(6-methoxy-2-pyridinyl)methyl]-1-methyl-1-[2-(1,3-thiazol-2-yl)propyl]urea

C15H20N4O2S — CID 75477201

IUPAC3-[(6-methoxy-2-pyridinyl)methyl]-1-methyl-1-[2-(1,3-thiazol-2-yl)propyl]urea
SMILESCOc1cccc(CNC(=O)N(C)CC(C)c2nccs2)n1
InChIInChI=1S/C15H20N4O2S/c1-11(14-16-7-8-22-14)10-19(2)15(20)17-9-12-5-4-6-13(18-12)21-3/h4-8,11H,9-10H2,1-3H3,(H,17,20)
InChIKeyWXHGJXJQCBQXMT-UHFFFAOYSA-N
MW320.42 g/mol
LogP2.49
Rot. Bonds6

About 3-[(6-methoxy-2-pyridinyl)methyl]-1-methyl-1-[2-(1,3-thiazol-2-yl)propyl]urea

3-[(6-methoxy-2-pyridinyl)methyl]-1-methyl-1-[2-(1,3-thiazol-2-yl)propyl]urea (PubChem CID 75477201) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 3-[(6-methoxy-2-pyridinyl)methyl]-1-methyl-1-[2-(1,3-thiazol-2-yl)propyl]urea.

Molecular Properties

Compound Name3-[(6-methoxy-2-pyridinyl)methyl]-1-methyl-1-[2-(1,3-thiazol-2-yl)propyl]urea
PubChem CID75477201
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name3-[(6-methoxy-2-pyridinyl)methyl]-1-methyl-1-[2-(1,3-thiazol-2-yl)propyl]urea
SMILESCOc1cccc(CNC(=O)N(C)CC(C)c2nccs2)n1
InChIInChI=1S/C15H20N4O2S/c1-11(14-16-7-8-22-14)10-19(2)15(20)17-9-12-5-4-6-13(18-12)21-3/h4-8,11H,9-10H2,1-3H3,(H,17,20)
InChIKeyWXHGJXJQCBQXMT-UHFFFAOYSA-N
XLogP2.49
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-1-methyl-1-[2-(1,3-thiazol-2-yl)propyl]urea
CID 84600514
1-methyl-1-[(2R)-2-(1,3-thiazol-2-yl)propyl]-3-[(2S)-2-thiophen-2-ylpropyl]urea
CID 97350993
3-[(2R)-but-3-en-2-yl]-1-methyl-1-[(2S)-2-(1,3-thiazol-2-yl)propyl]urea
CID 97351061
3-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-methyl-1-[2-(1,3-thiazol-2-yl)propyl]urea
CID 84600832
methyl 2-[(6-methoxy-2-pyridinyl)methylamino]propanoate
CID 63986668
1-methyl-3-(thiadiazol-5-yl)-1-[2-(1,3-thiazol-2-yl)propyl]urea
CID 102562764
3-[2-[(6-methoxy-2-pyridinyl)methylamino]ethyl]-1,1-dimethylurea
CID 83121386
1-methyl-3-[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-[(2R)-2-(1,3-thiazol-2-yl)propyl]urea
CID 97351606
4-[methyl-[2-(1,3-thiazol-2-yl)propyl]carbamoyl]pyridine-2-carboxylic acid
CID 120550709
3-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-1-methyl-1-[(2R)-2-(1,3-thiazol-2-yl)propyl]urea
CID 124615981
3-[(1R,1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-1-methyl-1-[(2R)-2-(1,3-thiazol-2-yl)propyl]urea
CID 99854195
2-methyl-N-[2-(1,3-thiazol-2-yl)propyl]propanamide
CID 104578837

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methoxy-2-pyridinyl)methyl]-1-methyl-1-[2-(1,3-thiazol-2-yl)propyl]urea?
The IUPAC name of 3-[(6-methoxy-2-pyridinyl)methyl]-1-methyl-1-[2-(1,3-thiazol-2-yl)propyl]urea (CID 75477201) is 3-[(6-methoxy-2-pyridinyl)methyl]-1-methyl-1-[2-(1,3-thiazol-2-yl)propyl]urea.
What is the SMILES notation for 3-[(6-methoxy-2-pyridinyl)methyl]-1-methyl-1-[2-(1,3-thiazol-2-yl)propyl]urea?
The canonical SMILES for 3-[(6-methoxy-2-pyridinyl)methyl]-1-methyl-1-[2-(1,3-thiazol-2-yl)propyl]urea is COc1cccc(CNC(=O)N(C)CC(C)c2nccs2)n1.
What is the InChIKey of 3-[(6-methoxy-2-pyridinyl)methyl]-1-methyl-1-[2-(1,3-thiazol-2-yl)propyl]urea?
The InChIKey is WXHGJXJQCBQXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-11(14-16-7-8-22-14)10-19(2)15(20)17-9-12-5-4-6-13(18-12)21-3/h4-8,11H,9-10H2,1-3H3,(H,17,20).
What are the key properties of 3-[(6-methoxy-2-pyridinyl)methyl]-1-methyl-1-[2-(1,3-thiazol-2-yl)propyl]urea?
3-[(6-methoxy-2-pyridinyl)methyl]-1-methyl-1-[2-(1,3-thiazol-2-yl)propyl]urea has a molecular weight of 320.42 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methoxy-2-pyridinyl)methyl]-1-methyl-1-[2-(1,3-thiazol-2-yl)propyl]urea is sourced from PubChem (CID 75477201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).