1-[2-(dimethylamino)ethyl]-3-[(2-methylfuran-3-carbonyl)amino]thiourea

C11H18N4O2S — CID 8728964

IUPAC1-[2-(dimethylamino)ethyl]-3-[(2-methylfuran-3-carbonyl)amino]thiourea
SMILESCc1occc1C(=O)NNC(=S)NCCN(C)C
InChIInChI=1S/C11H18N4O2S/c1-8-9(4-7-17-8)10(16)13-14-11(18)12-5-6-15(2)3/h4,7H,5-6H2,1-3H3,(H,13,16)(H2,12,14,18)
InChIKeyZDHARLRRLHEHQT-UHFFFAOYSA-N
MW270.36 g/mol
LogP0.26
Rot. Bonds4

About 1-[2-(dimethylamino)ethyl]-3-[(2-methylfuran-3-carbonyl)amino]thiourea

1-[2-(dimethylamino)ethyl]-3-[(2-methylfuran-3-carbonyl)amino]thiourea (PubChem CID 8728964) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-[(2-methylfuran-3-carbonyl)amino]thiourea.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-[(2-methylfuran-3-carbonyl)amino]thiourea
PubChem CID8728964
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name1-[2-(dimethylamino)ethyl]-3-[(2-methylfuran-3-carbonyl)amino]thiourea
SMILESCc1occc1C(=O)NNC(=S)NCCN(C)C
InChIInChI=1S/C11H18N4O2S/c1-8-9(4-7-17-8)10(16)13-14-11(18)12-5-6-15(2)3/h4,7H,5-6H2,1-3H3,(H,13,16)(H2,12,14,18)
InChIKeyZDHARLRRLHEHQT-UHFFFAOYSA-N
XLogP0.26
TPSA69.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 1-[2-(dimethylamino)ethyl]-3-[(2-methylfuran-3-carbonyl)amino]thiourea?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-[(2-methylfuran-3-carbonyl)amino]thiourea (CID 8728964) is 1-[2-(dimethylamino)ethyl]-3-[(2-methylfuran-3-carbonyl)amino]thiourea.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-[(2-methylfuran-3-carbonyl)amino]thiourea?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-[(2-methylfuran-3-carbonyl)amino]thiourea is Cc1occc1C(=O)NNC(=S)NCCN(C)C.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-[(2-methylfuran-3-carbonyl)amino]thiourea?
The InChIKey is ZDHARLRRLHEHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-8-9(4-7-17-8)10(16)13-14-11(18)12-5-6-15(2)3/h4,7H,5-6H2,1-3H3,(H,13,16)(H2,12,14,18).
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-[(2-methylfuran-3-carbonyl)amino]thiourea?
1-[2-(dimethylamino)ethyl]-3-[(2-methylfuran-3-carbonyl)amino]thiourea has a molecular weight of 270.36 g/mol, XLogP of 0.26, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3-[(2-methylfuran-3-carbonyl)amino]thiourea is sourced from PubChem (CID 8728964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).