6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioamide

C7H7N3S2 — CID 16790119

IUPAC6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioamide
SMILESCc1nc2sccn2c1C(N)=S
InChIInChI=1S/C7H7N3S2/c1-4-5(6(8)11)10-2-3-12-7(10)9-4/h2-3H,1H3,(H2,8,11)
InChIKeyVGDQUXAYRAZUGT-UHFFFAOYSA-N
MW197.29 g/mol
LogP1.34
Rot. Bonds1

About 6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioamide

6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioamide (PubChem CID 16790119) has the molecular formula C7H7N3S2 and a molecular weight of 197.29 g/mol. Its IUPAC name is 6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioamide.

Molecular Properties

Compound Name6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioamide
PubChem CID16790119
Molecular FormulaC7H7N3S2
Molecular Weight197.29 g/mol
Exact Mass197.01
IUPAC Name6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioamide
SMILESCc1nc2sccn2c1C(N)=S
InChIInChI=1S/C7H7N3S2/c1-4-5(6(8)11)10-2-3-12-7(10)9-4/h2-3H,1H3,(H2,8,11)
InChIKeyVGDQUXAYRAZUGT-UHFFFAOYSA-N
XLogP1.34
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.29
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioamide?
The IUPAC name of 6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioamide (CID 16790119) is 6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioamide.
What is the SMILES notation for 6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioamide?
The canonical SMILES for 6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioamide is Cc1nc2sccn2c1C(N)=S.
What is the InChIKey of 6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioamide?
The InChIKey is VGDQUXAYRAZUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3S2/c1-4-5(6(8)11)10-2-3-12-7(10)9-4/h2-3H,1H3,(H2,8,11).
What are the key properties of 6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioamide?
6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioamide has a molecular weight of 197.29 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioamide is sourced from PubChem (CID 16790119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).