[(Z)-1-(2-methyl-1,3-thiazol-4-yl)ethylideneamino]thiourea

C7H10N4S2 — CID 27088994

IUPAC[(Z)-1-(2-methyl-1,3-thiazol-4-yl)ethylideneamino]thiourea
SMILESC/C(=N/NC(N)=S)c1csc(C)n1
InChIInChI=1S/C7H10N4S2/c1-4(10-11-7(8)12)6-3-13-5(2)9-6/h3H,1-2H3,(H3,8,11,12)/b10-4-
InChIKeyXGUNCVAALWPUCI-WMZJFQQLSA-N
MW214.32 g/mol
LogP1.01
Rot. Bonds2

About [(Z)-1-(2-methyl-1,3-thiazol-4-yl)ethylideneamino]thiourea

[(Z)-1-(2-methyl-1,3-thiazol-4-yl)ethylideneamino]thiourea (PubChem CID 27088994) has the molecular formula C7H10N4S2 and a molecular weight of 214.32 g/mol. Its IUPAC name is [(Z)-1-(2-methyl-1,3-thiazol-4-yl)ethylideneamino]thiourea.

Molecular Properties

Compound Name[(Z)-1-(2-methyl-1,3-thiazol-4-yl)ethylideneamino]thiourea
PubChem CID27088994
Molecular FormulaC7H10N4S2
Molecular Weight214.32 g/mol
Exact Mass214.03
IUPAC Name[(Z)-1-(2-methyl-1,3-thiazol-4-yl)ethylideneamino]thiourea
SMILESC/C(=N/NC(N)=S)c1csc(C)n1
InChIInChI=1S/C7H10N4S2/c1-4(10-11-7(8)12)6-3-13-5(2)9-6/h3H,1-2H3,(H3,8,11,12)/b10-4-
InChIKeyXGUNCVAALWPUCI-WMZJFQQLSA-N
XLogP1.01
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.32
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 [(Z)-1-(2-methyl-1,3-thiazol-4-yl)ethylideneamino]thiourea?
The IUPAC name of [(Z)-1-(2-methyl-1,3-thiazol-4-yl)ethylideneamino]thiourea (CID 27088994) is [(Z)-1-(2-methyl-1,3-thiazol-4-yl)ethylideneamino]thiourea.
What is the SMILES notation for [(Z)-1-(2-methyl-1,3-thiazol-4-yl)ethylideneamino]thiourea?
The canonical SMILES for [(Z)-1-(2-methyl-1,3-thiazol-4-yl)ethylideneamino]thiourea is C/C(=N/NC(N)=S)c1csc(C)n1.
What is the InChIKey of [(Z)-1-(2-methyl-1,3-thiazol-4-yl)ethylideneamino]thiourea?
The InChIKey is XGUNCVAALWPUCI-WMZJFQQLSA-N. The full InChI is InChI=1S/C7H10N4S2/c1-4(10-11-7(8)12)6-3-13-5(2)9-6/h3H,1-2H3,(H3,8,11,12)/b10-4-.
What are the key properties of [(Z)-1-(2-methyl-1,3-thiazol-4-yl)ethylideneamino]thiourea?
[(Z)-1-(2-methyl-1,3-thiazol-4-yl)ethylideneamino]thiourea has a molecular weight of 214.32 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-(2-methyl-1,3-thiazol-4-yl)ethylideneamino]thiourea is sourced from PubChem (CID 27088994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).