6-[(1-phenylbenzimidazol-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole

C19H14N4S2 — CID 3679440

IUPAC6-[(1-phenylbenzimidazol-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole
SMILESc1ccc(-n2c(SCc3cn4ccsc4n3)nc3ccccc32)cc1
InChIInChI=1S/C19H14N4S2/c1-2-6-15(7-3-1)23-17-9-5-4-8-16(17)21-19(23)25-13-14-12-22-10-11-24-18(22)20-14/h1-12H,13H2
InChIKeyIGKGFXGJNHJUAE-UHFFFAOYSA-N
MW362.48 g/mol
LogP5.03
Rot. Bonds4

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

6-[(1-phenylbenzimidazol-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole (PubChem CID 3679440) has the molecular formula C19H14N4S2 and a molecular weight of 362.48 g/mol. Its IUPAC name is 6-[(1-phenylbenzimidazol-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-[(1-phenylbenzimidazol-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole
PubChem CID3679440
Molecular FormulaC19H14N4S2
Molecular Weight362.48 g/mol
Exact Mass362.07
IUPAC Name6-[(1-phenylbenzimidazol-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole
SMILESc1ccc(-n2c(SCc3cn4ccsc4n3)nc3ccccc32)cc1
InChIInChI=1S/C19H14N4S2/c1-2-6-15(7-3-1)23-17-9-5-4-8-16(17)21-19(23)25-13-14-12-22-10-11-24-18(22)20-14/h1-12H,13H2
InChIKeyIGKGFXGJNHJUAE-UHFFFAOYSA-N
XLogP5.03
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.48
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[(1-phenylbenzimidazol-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(1-phenylbenzimidazol-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-[(1-phenylbenzimidazol-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole (CID 3679440) is 6-[(1-phenylbenzimidazol-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-[(1-phenylbenzimidazol-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-[(1-phenylbenzimidazol-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole is c1ccc(-n2c(SCc3cn4ccsc4n3)nc3ccccc32)cc1.
What is the InChIKey of 6-[(1-phenylbenzimidazol-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is IGKGFXGJNHJUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4S2/c1-2-6-15(7-3-1)23-17-9-5-4-8-16(17)21-19(23)25-13-14-12-22-10-11-24-18(22)20-14/h1-12H,13H2.
What are the key properties of 6-[(1-phenylbenzimidazol-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole?
6-[(1-phenylbenzimidazol-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 362.48 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-phenylbenzimidazol-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 3679440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).