6-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole

C14H11N5S2 — CID 658983

IUPAC6-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole
SMILESc1ccc(-n2cnnc2SCc2cn3ccsc3n2)cc1
InChIInChI=1S/C14H11N5S2/c1-2-4-12(5-3-1)19-10-15-17-14(19)21-9-11-8-18-6-7-20-13(18)16-11/h1-8,10H,9H2
InChIKeyIYNKTAHDZXZCSQ-UHFFFAOYSA-N
MW313.41 g/mol
LogP3.27
Rot. Bonds4

About 6-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole

6-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole (PubChem CID 658983) has the molecular formula C14H11N5S2 and a molecular weight of 313.41 g/mol. Its IUPAC name is 6-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole
PubChem CID658983
Molecular FormulaC14H11N5S2
Molecular Weight313.41 g/mol
Exact Mass313.05
IUPAC Name6-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole
SMILESc1ccc(-n2cnnc2SCc2cn3ccsc3n2)cc1
InChIInChI=1S/C14H11N5S2/c1-2-4-12(5-3-1)19-10-15-17-14(19)21-9-11-8-18-6-7-20-13(18)16-11/h1-8,10H,9H2
InChIKeyIYNKTAHDZXZCSQ-UHFFFAOYSA-N
XLogP3.27
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole (CID 658983) is 6-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole is c1ccc(-n2cnnc2SCc2cn3ccsc3n2)cc1.
What is the InChIKey of 6-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is IYNKTAHDZXZCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5S2/c1-2-4-12(5-3-1)19-10-15-17-14(19)21-9-11-8-18-6-7-20-13(18)16-11/h1-8,10H,9H2.
What are the key properties of 6-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole?
6-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 313.41 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 658983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).