[[2-(diethylamino)-1,3-thiazol-5-yl]methylideneamino]thiourea

C9H15N5S2 — CID 1474841

IUPAC[[2-(diethylamino)-1,3-thiazol-5-yl]methylideneamino]thiourea
SMILESCCN(CC)c1ncc(C=NNC(N)=S)s1
InChIInChI=1S/C9H15N5S2/c1-3-14(4-2)9-11-5-7(16-9)6-12-13-8(10)15/h5-6H,3-4H2,1-2H3,(H3,10,13,15)
InChIKeyZODRUMRGJGDMQH-UHFFFAOYSA-N
MW257.39 g/mol
LogP1.16
Rot. Bonds5

About [[2-(diethylamino)-1,3-thiazol-5-yl]methylideneamino]thiourea

[[2-(diethylamino)-1,3-thiazol-5-yl]methylideneamino]thiourea (PubChem CID 1474841) has the molecular formula C9H15N5S2 and a molecular weight of 257.39 g/mol. Its IUPAC name is [[2-(diethylamino)-1,3-thiazol-5-yl]methylideneamino]thiourea.

Molecular Properties

Compound Name[[2-(diethylamino)-1,3-thiazol-5-yl]methylideneamino]thiourea
PubChem CID1474841
Molecular FormulaC9H15N5S2
Molecular Weight257.39 g/mol
Exact Mass257.08
IUPAC Name[[2-(diethylamino)-1,3-thiazol-5-yl]methylideneamino]thiourea
SMILESCCN(CC)c1ncc(C=NNC(N)=S)s1
InChIInChI=1S/C9H15N5S2/c1-3-14(4-2)9-11-5-7(16-9)6-12-13-8(10)15/h5-6H,3-4H2,1-2H3,(H3,10,13,15)
InChIKeyZODRUMRGJGDMQH-UHFFFAOYSA-N
XLogP1.16
TPSA66.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.39
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 [[2-(diethylamino)-1,3-thiazol-5-yl]methylideneamino]thiourea?
The IUPAC name of [[2-(diethylamino)-1,3-thiazol-5-yl]methylideneamino]thiourea (CID 1474841) is [[2-(diethylamino)-1,3-thiazol-5-yl]methylideneamino]thiourea.
What is the SMILES notation for [[2-(diethylamino)-1,3-thiazol-5-yl]methylideneamino]thiourea?
The canonical SMILES for [[2-(diethylamino)-1,3-thiazol-5-yl]methylideneamino]thiourea is CCN(CC)c1ncc(C=NNC(N)=S)s1.
What is the InChIKey of [[2-(diethylamino)-1,3-thiazol-5-yl]methylideneamino]thiourea?
The InChIKey is ZODRUMRGJGDMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5S2/c1-3-14(4-2)9-11-5-7(16-9)6-12-13-8(10)15/h5-6H,3-4H2,1-2H3,(H3,10,13,15).
What are the key properties of [[2-(diethylamino)-1,3-thiazol-5-yl]methylideneamino]thiourea?
[[2-(diethylamino)-1,3-thiazol-5-yl]methylideneamino]thiourea has a molecular weight of 257.39 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-(diethylamino)-1,3-thiazol-5-yl]methylideneamino]thiourea is sourced from PubChem (CID 1474841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).