3-[(5-chlorothiophene-2-carbonyl)amino]-1,1-diethylthiourea

C10H14ClN3OS2 — CID 134971811

IUPAC3-[(5-chlorothiophene-2-carbonyl)amino]-1,1-diethylthiourea
SMILESCCN(CC)C(=S)NNC(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H14ClN3OS2/c1-3-14(4-2)10(16)13-12-9(15)7-5-6-8(11)17-7/h5-6H,3-4H2,1-2H3,(H,12,15)(H,13,16)
InChIKeyVMAPKFQNQGJDFW-UHFFFAOYSA-N
MW291.83 g/mol
LogP2.26
Rot. Bonds3

About 3-[(5-chlorothiophene-2-carbonyl)amino]-1,1-diethylthiourea

3-[(5-chlorothiophene-2-carbonyl)amino]-1,1-diethylthiourea (PubChem CID 134971811) has the molecular formula C10H14ClN3OS2 and a molecular weight of 291.83 g/mol. Its IUPAC name is 3-[(5-chlorothiophene-2-carbonyl)amino]-1,1-diethylthiourea.

Molecular Properties

Compound Name3-[(5-chlorothiophene-2-carbonyl)amino]-1,1-diethylthiourea
PubChem CID134971811
Molecular FormulaC10H14ClN3OS2
Molecular Weight291.83 g/mol
Exact Mass291.03
IUPAC Name3-[(5-chlorothiophene-2-carbonyl)amino]-1,1-diethylthiourea
SMILESCCN(CC)C(=S)NNC(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H14ClN3OS2/c1-3-14(4-2)10(16)13-12-9(15)7-5-6-8(11)17-7/h5-6H,3-4H2,1-2H3,(H,12,15)(H,13,16)
InChIKeyVMAPKFQNQGJDFW-UHFFFAOYSA-N
XLogP2.26
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.83
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 3-[(5-chlorothiophene-2-carbonyl)amino]-1,1-diethylthiourea?
The IUPAC name of 3-[(5-chlorothiophene-2-carbonyl)amino]-1,1-diethylthiourea (CID 134971811) is 3-[(5-chlorothiophene-2-carbonyl)amino]-1,1-diethylthiourea.
What is the SMILES notation for 3-[(5-chlorothiophene-2-carbonyl)amino]-1,1-diethylthiourea?
The canonical SMILES for 3-[(5-chlorothiophene-2-carbonyl)amino]-1,1-diethylthiourea is CCN(CC)C(=S)NNC(=O)c1ccc(Cl)s1.
What is the InChIKey of 3-[(5-chlorothiophene-2-carbonyl)amino]-1,1-diethylthiourea?
The InChIKey is VMAPKFQNQGJDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3OS2/c1-3-14(4-2)10(16)13-12-9(15)7-5-6-8(11)17-7/h5-6H,3-4H2,1-2H3,(H,12,15)(H,13,16).
What are the key properties of 3-[(5-chlorothiophene-2-carbonyl)amino]-1,1-diethylthiourea?
3-[(5-chlorothiophene-2-carbonyl)amino]-1,1-diethylthiourea has a molecular weight of 291.83 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chlorothiophene-2-carbonyl)amino]-1,1-diethylthiourea is sourced from PubChem (CID 134971811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).