1-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea

C15H20N6O2S — CID 94154168

IUPAC1-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea
SMILESC[C@H](CN1CCOCC1)NC(=O)Nc1nnc(-c2ccccn2)s1
InChIInChI=1S/C15H20N6O2S/c1-11(10-21-6-8-23-9-7-21)17-14(22)18-15-20-19-13(24-15)12-4-2-3-5-16-12/h2-5,11H,6-10H2,1H3,(H2,17,18,20,22)/t11-/m1/s1
InChIKeyQIYJKUSCHLSZDB-LLVKDONJSA-N
MW348.43 g/mol
LogP1.44
Rot. Bonds5

About 1-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea

1-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea (PubChem CID 94154168) has the molecular formula C15H20N6O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is 1-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea.

Molecular Properties

Compound Name1-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea
PubChem CID94154168
Molecular FormulaC15H20N6O2S
Molecular Weight348.43 g/mol
Exact Mass348.14
IUPAC Name1-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea
SMILESC[C@H](CN1CCOCC1)NC(=O)Nc1nnc(-c2ccccn2)s1
InChIInChI=1S/C15H20N6O2S/c1-11(10-21-6-8-23-9-7-21)17-14(22)18-15-20-19-13(24-15)12-4-2-3-5-16-12/h2-5,11H,6-10H2,1H3,(H2,17,18,20,22)/t11-/m1/s1
InChIKeyQIYJKUSCHLSZDB-LLVKDONJSA-N
XLogP1.44
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea
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CID 51080589
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CID 94102902
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CID 47251913
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CID 167955854
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CID 94171475
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CID 78874563
4-(aminomethyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)oxane-4-carboxamide
CID 120939549
1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(2R)-1-morpholin-4-ylpropan-2-yl]urea
CID 94029349
2-methyl-3-(methylamino)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)propanamide;dihydrochloride
CID 119855733
N-(2-methyl-3-morpholin-4-ylpropyl)pyridine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea?
The IUPAC name of 1-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea (CID 94154168) is 1-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea.
What is the SMILES notation for 1-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea?
The canonical SMILES for 1-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea is C[C@H](CN1CCOCC1)NC(=O)Nc1nnc(-c2ccccn2)s1.
What is the InChIKey of 1-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea?
The InChIKey is QIYJKUSCHLSZDB-LLVKDONJSA-N. The full InChI is InChI=1S/C15H20N6O2S/c1-11(10-21-6-8-23-9-7-21)17-14(22)18-15-20-19-13(24-15)12-4-2-3-5-16-12/h2-5,11H,6-10H2,1H3,(H2,17,18,20,22)/t11-/m1/s1.
What are the key properties of 1-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea?
1-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea has a molecular weight of 348.43 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea is sourced from PubChem (CID 94154168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).