2-(1-methylimidazol-2-yl)sulfanyl-1,3-thiazole

C7H7N3S2 — CID 130701592

IUPAC2-(1-methylimidazol-2-yl)sulfanyl-1,3-thiazole
SMILESCn1ccnc1Sc1nccs1
InChIInChI=1S/C7H7N3S2/c1-10-4-2-8-6(10)12-7-9-3-5-11-7/h2-5H,1H3
InChIKeyFIXVHPDITJJRGT-UHFFFAOYSA-N
MW197.29 g/mol
LogP2.03
Rot. Bonds2

About 2-(1-methylimidazol-2-yl)sulfanyl-1,3-thiazole

2-(1-methylimidazol-2-yl)sulfanyl-1,3-thiazole (PubChem CID 130701592) has the molecular formula C7H7N3S2 and a molecular weight of 197.29 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)sulfanyl-1,3-thiazole.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)sulfanyl-1,3-thiazole
PubChem CID130701592
Molecular FormulaC7H7N3S2
Molecular Weight197.29 g/mol
Exact Mass197.01
IUPAC Name2-(1-methylimidazol-2-yl)sulfanyl-1,3-thiazole
SMILESCn1ccnc1Sc1nccs1
InChIInChI=1S/C7H7N3S2/c1-10-4-2-8-6(10)12-7-9-3-5-11-7/h2-5H,1H3
InChIKeyFIXVHPDITJJRGT-UHFFFAOYSA-N
XLogP2.03
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.29
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)sulfanyl-1,3-thiazole?
The IUPAC name of 2-(1-methylimidazol-2-yl)sulfanyl-1,3-thiazole (CID 130701592) is 2-(1-methylimidazol-2-yl)sulfanyl-1,3-thiazole.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)sulfanyl-1,3-thiazole?
The canonical SMILES for 2-(1-methylimidazol-2-yl)sulfanyl-1,3-thiazole is Cn1ccnc1Sc1nccs1.
What is the InChIKey of 2-(1-methylimidazol-2-yl)sulfanyl-1,3-thiazole?
The InChIKey is FIXVHPDITJJRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3S2/c1-10-4-2-8-6(10)12-7-9-3-5-11-7/h2-5H,1H3.
What are the key properties of 2-(1-methylimidazol-2-yl)sulfanyl-1,3-thiazole?
2-(1-methylimidazol-2-yl)sulfanyl-1,3-thiazole has a molecular weight of 197.29 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)sulfanyl-1,3-thiazole is sourced from PubChem (CID 130701592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).