2-[3-[(6S)-2,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]propyl]guanidine

C21H23N5S — CID 134140311

IUPAC2-[3-[(6S)-2,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]propyl]guanidine
SMILESNC(N)=NCCC[C@H]1CN2C(=N1)SC(c1ccccc1)=C2c1ccccc1
InChIInChI=1S/C21H23N5S/c22-20(23)24-13-7-12-17-14-26-18(15-8-3-1-4-9-15)19(27-21(26)25-17)16-10-5-2-6-11-16/h1-6,8-11,17H,7,12-14H2,(H4,22,23,24)/t17-/m0/s1
InChIKeyILSGJRABCKLLDU-KRWDZBQOSA-N
MW377.52 g/mol
LogP3.35
Rot. Bonds6

About 2-[3-[(6S)-2,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]propyl]guanidine

2-[3-[(6S)-2,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]propyl]guanidine (PubChem CID 134140311) has the molecular formula C21H23N5S and a molecular weight of 377.52 g/mol. Its IUPAC name is 2-[3-[(6S)-2,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]propyl]guanidine.

Molecular Properties

Compound Name2-[3-[(6S)-2,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]propyl]guanidine
PubChem CID134140311
Molecular FormulaC21H23N5S
Molecular Weight377.52 g/mol
Exact Mass377.17
IUPAC Name2-[3-[(6S)-2,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]propyl]guanidine
SMILESNC(N)=NCCC[C@H]1CN2C(=N1)SC(c1ccccc1)=C2c1ccccc1
InChIInChI=1S/C21H23N5S/c22-20(23)24-13-7-12-17-14-26-18(15-8-3-1-4-9-15)19(27-21(26)25-17)16-10-5-2-6-11-16/h1-6,8-11,17H,7,12-14H2,(H4,22,23,24)/t17-/m0/s1
InChIKeyILSGJRABCKLLDU-KRWDZBQOSA-N
XLogP3.35
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.52
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(6S)-2,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]propyl]guanidine?
The IUPAC name of 2-[3-[(6S)-2,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]propyl]guanidine (CID 134140311) is 2-[3-[(6S)-2,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]propyl]guanidine.
What is the SMILES notation for 2-[3-[(6S)-2,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]propyl]guanidine?
The canonical SMILES for 2-[3-[(6S)-2,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]propyl]guanidine is NC(N)=NCCC[C@H]1CN2C(=N1)SC(c1ccccc1)=C2c1ccccc1.
What is the InChIKey of 2-[3-[(6S)-2,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]propyl]guanidine?
The InChIKey is ILSGJRABCKLLDU-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H23N5S/c22-20(23)24-13-7-12-17-14-26-18(15-8-3-1-4-9-15)19(27-21(26)25-17)16-10-5-2-6-11-16/h1-6,8-11,17H,7,12-14H2,(H4,22,23,24)/t17-/m0/s1.
What are the key properties of 2-[3-[(6S)-2,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]propyl]guanidine?
2-[3-[(6S)-2,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]propyl]guanidine has a molecular weight of 377.52 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(6S)-2,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]propyl]guanidine is sourced from PubChem (CID 134140311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).