[[5-(6-morpholin-4-yl-3-pyridinyl)furan-2-yl]methylamino]thiourea

C15H19N5O2S — CID 142921422

IUPAC[[5-(6-morpholin-4-yl-3-pyridinyl)furan-2-yl]methylamino]thiourea
SMILESNC(=S)NNCc1ccc(-c2ccc(N3CCOCC3)nc2)o1
InChIInChI=1S/C15H19N5O2S/c16-15(23)19-18-10-12-2-3-13(22-12)11-1-4-14(17-9-11)20-5-7-21-8-6-20/h1-4,9,18H,5-8,10H2,(H3,16,19,23)
InChIKeyDQWSZKMOEZWNKY-UHFFFAOYSA-N
MW333.42 g/mol
LogP1.02
Rot. Bonds5

About [[5-(6-morpholin-4-yl-3-pyridinyl)furan-2-yl]methylamino]thiourea

[[5-(6-morpholin-4-yl-3-pyridinyl)furan-2-yl]methylamino]thiourea (PubChem CID 142921422) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is [[5-(6-morpholin-4-yl-3-pyridinyl)furan-2-yl]methylamino]thiourea.

Molecular Properties

Compound Name[[5-(6-morpholin-4-yl-3-pyridinyl)furan-2-yl]methylamino]thiourea
PubChem CID142921422
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC Name[[5-(6-morpholin-4-yl-3-pyridinyl)furan-2-yl]methylamino]thiourea
SMILESNC(=S)NNCc1ccc(-c2ccc(N3CCOCC3)nc2)o1
InChIInChI=1S/C15H19N5O2S/c16-15(23)19-18-10-12-2-3-13(22-12)11-1-4-14(17-9-11)20-5-7-21-8-6-20/h1-4,9,18H,5-8,10H2,(H3,16,19,23)
InChIKeyDQWSZKMOEZWNKY-UHFFFAOYSA-N
XLogP1.02
TPSA88.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [[5-(6-morpholin-4-yl-3-pyridinyl)furan-2-yl]methylamino]thiourea?
The IUPAC name of [[5-(6-morpholin-4-yl-3-pyridinyl)furan-2-yl]methylamino]thiourea (CID 142921422) is [[5-(6-morpholin-4-yl-3-pyridinyl)furan-2-yl]methylamino]thiourea.
What is the SMILES notation for [[5-(6-morpholin-4-yl-3-pyridinyl)furan-2-yl]methylamino]thiourea?
The canonical SMILES for [[5-(6-morpholin-4-yl-3-pyridinyl)furan-2-yl]methylamino]thiourea is NC(=S)NNCc1ccc(-c2ccc(N3CCOCC3)nc2)o1.
What is the InChIKey of [[5-(6-morpholin-4-yl-3-pyridinyl)furan-2-yl]methylamino]thiourea?
The InChIKey is DQWSZKMOEZWNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2S/c16-15(23)19-18-10-12-2-3-13(22-12)11-1-4-14(17-9-11)20-5-7-21-8-6-20/h1-4,9,18H,5-8,10H2,(H3,16,19,23).
What are the key properties of [[5-(6-morpholin-4-yl-3-pyridinyl)furan-2-yl]methylamino]thiourea?
[[5-(6-morpholin-4-yl-3-pyridinyl)furan-2-yl]methylamino]thiourea has a molecular weight of 333.42 g/mol, XLogP of 1.02, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [[5-(6-morpholin-4-yl-3-pyridinyl)furan-2-yl]methylamino]thiourea is sourced from PubChem (CID 142921422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).