[[3-[(4-methylphenyl)methoxy]thiophene-2-carbonyl]amino]thiourea

C14H15N3O2S2 — CID 1482507

IUPAC[[3-[(4-methylphenyl)methoxy]thiophene-2-carbonyl]amino]thiourea
SMILESCc1ccc(COc2ccsc2C(=O)NNC(N)=S)cc1
InChIInChI=1S/C14H15N3O2S2/c1-9-2-4-10(5-3-9)8-19-11-6-7-21-12(11)13(18)16-17-14(15)20/h2-7H,8H2,1H3,(H,16,18)(H3,15,17,20)
InChIKeyMTNMOZVPZJGTNU-UHFFFAOYSA-N
MW321.43 g/mol
LogP2.11
Rot. Bonds4

About [[3-[(4-methylphenyl)methoxy]thiophene-2-carbonyl]amino]thiourea

[[3-[(4-methylphenyl)methoxy]thiophene-2-carbonyl]amino]thiourea (PubChem CID 1482507) has the molecular formula C14H15N3O2S2 and a molecular weight of 321.43 g/mol. Its IUPAC name is [[3-[(4-methylphenyl)methoxy]thiophene-2-carbonyl]amino]thiourea.

Molecular Properties

Compound Name[[3-[(4-methylphenyl)methoxy]thiophene-2-carbonyl]amino]thiourea
PubChem CID1482507
Molecular FormulaC14H15N3O2S2
Molecular Weight321.43 g/mol
Exact Mass321.06
IUPAC Name[[3-[(4-methylphenyl)methoxy]thiophene-2-carbonyl]amino]thiourea
SMILESCc1ccc(COc2ccsc2C(=O)NNC(N)=S)cc1
InChIInChI=1S/C14H15N3O2S2/c1-9-2-4-10(5-3-9)8-19-11-6-7-21-12(11)13(18)16-17-14(15)20/h2-7H,8H2,1H3,(H,16,18)(H3,15,17,20)
InChIKeyMTNMOZVPZJGTNU-UHFFFAOYSA-N
XLogP2.11
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_D(2)', 'substructure': 'N/A'}, {'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-[(4-methylphenyl)methoxy]thiophene-2-carbonyl]amino]thiourea?
The IUPAC name of [[3-[(4-methylphenyl)methoxy]thiophene-2-carbonyl]amino]thiourea (CID 1482507) is [[3-[(4-methylphenyl)methoxy]thiophene-2-carbonyl]amino]thiourea.
What is the SMILES notation for [[3-[(4-methylphenyl)methoxy]thiophene-2-carbonyl]amino]thiourea?
The canonical SMILES for [[3-[(4-methylphenyl)methoxy]thiophene-2-carbonyl]amino]thiourea is Cc1ccc(COc2ccsc2C(=O)NNC(N)=S)cc1.
What is the InChIKey of [[3-[(4-methylphenyl)methoxy]thiophene-2-carbonyl]amino]thiourea?
The InChIKey is MTNMOZVPZJGTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S2/c1-9-2-4-10(5-3-9)8-19-11-6-7-21-12(11)13(18)16-17-14(15)20/h2-7H,8H2,1H3,(H,16,18)(H3,15,17,20).
What are the key properties of [[3-[(4-methylphenyl)methoxy]thiophene-2-carbonyl]amino]thiourea?
[[3-[(4-methylphenyl)methoxy]thiophene-2-carbonyl]amino]thiourea has a molecular weight of 321.43 g/mol, XLogP of 2.11, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[3-[(4-methylphenyl)methoxy]thiophene-2-carbonyl]amino]thiourea is sourced from PubChem (CID 1482507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).