[[2-oxo-2-(1,3-thiazol-2-yl)ethyl]amino]thiourea

C6H8N4OS2 — CID 170262385

IUPAC[[2-oxo-2-(1,3-thiazol-2-yl)ethyl]amino]thiourea
SMILESNC(=S)NNCC(=O)c1nccs1
InChIInChI=1S/C6H8N4OS2/c7-6(12)10-9-3-4(11)5-8-1-2-13-5/h1-2,9H,3H2,(H3,7,10,12)
InChIKeyFBZMDSIPMQRZKG-UHFFFAOYSA-N
MW216.29 g/mol
LogP-0.34
Rot. Bonds4

About [[2-oxo-2-(1,3-thiazol-2-yl)ethyl]amino]thiourea

[[2-oxo-2-(1,3-thiazol-2-yl)ethyl]amino]thiourea (PubChem CID 170262385) has the molecular formula C6H8N4OS2 and a molecular weight of 216.29 g/mol. Its IUPAC name is [[2-oxo-2-(1,3-thiazol-2-yl)ethyl]amino]thiourea.

Molecular Properties

Compound Name[[2-oxo-2-(1,3-thiazol-2-yl)ethyl]amino]thiourea
PubChem CID170262385
Molecular FormulaC6H8N4OS2
Molecular Weight216.29 g/mol
Exact Mass216.01
IUPAC Name[[2-oxo-2-(1,3-thiazol-2-yl)ethyl]amino]thiourea
SMILESNC(=S)NNCC(=O)c1nccs1
InChIInChI=1S/C6H8N4OS2/c7-6(12)10-9-3-4(11)5-8-1-2-13-5/h1-2,9H,3H2,(H3,7,10,12)
InChIKeyFBZMDSIPMQRZKG-UHFFFAOYSA-N
XLogP-0.34
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 [[2-oxo-2-(1,3-thiazol-2-yl)ethyl]amino]thiourea?
The IUPAC name of [[2-oxo-2-(1,3-thiazol-2-yl)ethyl]amino]thiourea (CID 170262385) is [[2-oxo-2-(1,3-thiazol-2-yl)ethyl]amino]thiourea.
What is the SMILES notation for [[2-oxo-2-(1,3-thiazol-2-yl)ethyl]amino]thiourea?
The canonical SMILES for [[2-oxo-2-(1,3-thiazol-2-yl)ethyl]amino]thiourea is NC(=S)NNCC(=O)c1nccs1.
What is the InChIKey of [[2-oxo-2-(1,3-thiazol-2-yl)ethyl]amino]thiourea?
The InChIKey is FBZMDSIPMQRZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4OS2/c7-6(12)10-9-3-4(11)5-8-1-2-13-5/h1-2,9H,3H2,(H3,7,10,12).
What are the key properties of [[2-oxo-2-(1,3-thiazol-2-yl)ethyl]amino]thiourea?
[[2-oxo-2-(1,3-thiazol-2-yl)ethyl]amino]thiourea has a molecular weight of 216.29 g/mol, XLogP of -0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-oxo-2-(1,3-thiazol-2-yl)ethyl]amino]thiourea is sourced from PubChem (CID 170262385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).