1-(6-morpholin-4-yl-3-pyridinyl)-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea

C17H17N7O2S — CID 47716208

IUPAC1-(6-morpholin-4-yl-3-pyridinyl)-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea
SMILESO=C(Nc1ccc(N2CCOCC2)nc1)Nc1nnc(-c2ccccn2)s1
InChIInChI=1S/C17H17N7O2S/c25-16(21-17-23-22-15(27-17)13-3-1-2-6-18-13)20-12-4-5-14(19-11-12)24-7-9-26-10-8-24/h1-6,11H,7-10H2,(H2,20,21,23,25)
InChIKeyCIBSXLHROJYXRX-UHFFFAOYSA-N
MW383.44 g/mol
LogP2.48
Rot. Bonds4

About 1-(6-morpholin-4-yl-3-pyridinyl)-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea

1-(6-morpholin-4-yl-3-pyridinyl)-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea (PubChem CID 47716208) has the molecular formula C17H17N7O2S and a molecular weight of 383.44 g/mol. Its IUPAC name is 1-(6-morpholin-4-yl-3-pyridinyl)-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea.

Molecular Properties

Compound Name1-(6-morpholin-4-yl-3-pyridinyl)-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea
PubChem CID47716208
Molecular FormulaC17H17N7O2S
Molecular Weight383.44 g/mol
Exact Mass383.12
IUPAC Name1-(6-morpholin-4-yl-3-pyridinyl)-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea
SMILESO=C(Nc1ccc(N2CCOCC2)nc1)Nc1nnc(-c2ccccn2)s1
InChIInChI=1S/C17H17N7O2S/c25-16(21-17-23-22-15(27-17)13-3-1-2-6-18-13)20-12-4-5-14(19-11-12)24-7-9-26-10-8-24/h1-6,11H,7-10H2,(H2,20,21,23,25)
InChIKeyCIBSXLHROJYXRX-UHFFFAOYSA-N
XLogP2.48
TPSA105.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-(6-morpholin-4-yl-3-pyridinyl)-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea with MolForge

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Related Compounds

1-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea
CID 94154168
1-methyl-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 47162241
2-amino-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 119946355
2,2-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 11391397
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CID 72967728
2-amino-N-(6-morpholin-4-yl-3-pyridinyl)-2-phenylpropanamide;dihydrochloride
CID 120595013
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CID 120939549
1-amino-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide
CID 119855704
N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide
CID 43699902
3-[(6-morpholin-4-yl-3-pyridinyl)amino]-3-oxopropanoic acid
CID 62229953
N-(6-morpholin-4-yl-3-pyridinyl)naphthalene-2-carboxamide
CID 3975213
1-(2-hydroxypropyl)-3-(6-morpholin-4-yl-3-pyridinyl)urea
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Frequently Asked Questions

What is the IUPAC name of 1-(6-morpholin-4-yl-3-pyridinyl)-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea?
The IUPAC name of 1-(6-morpholin-4-yl-3-pyridinyl)-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea (CID 47716208) is 1-(6-morpholin-4-yl-3-pyridinyl)-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea.
What is the SMILES notation for 1-(6-morpholin-4-yl-3-pyridinyl)-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea?
The canonical SMILES for 1-(6-morpholin-4-yl-3-pyridinyl)-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea is O=C(Nc1ccc(N2CCOCC2)nc1)Nc1nnc(-c2ccccn2)s1.
What is the InChIKey of 1-(6-morpholin-4-yl-3-pyridinyl)-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea?
The InChIKey is CIBSXLHROJYXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O2S/c25-16(21-17-23-22-15(27-17)13-3-1-2-6-18-13)20-12-4-5-14(19-11-12)24-7-9-26-10-8-24/h1-6,11H,7-10H2,(H2,20,21,23,25).
What are the key properties of 1-(6-morpholin-4-yl-3-pyridinyl)-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea?
1-(6-morpholin-4-yl-3-pyridinyl)-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea has a molecular weight of 383.44 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-morpholin-4-yl-3-pyridinyl)-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea is sourced from PubChem (CID 47716208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).