5-(4-methylpiperazin-1-yl)-2-phenylsulfanyl-1,3-thiazole

C14H17N3S2 — CID 102165326

IUPAC5-(4-methylpiperazin-1-yl)-2-phenylsulfanyl-1,3-thiazole
SMILESCN1CCN(c2cnc(Sc3ccccc3)s2)CC1
InChIInChI=1S/C14H17N3S2/c1-16-7-9-17(10-8-16)13-11-15-14(19-13)18-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3
InChIKeyBGBZMBGJOMLMRO-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.05
Rot. Bonds3

About 5-(4-methylpiperazin-1-yl)-2-phenylsulfanyl-1,3-thiazole

5-(4-methylpiperazin-1-yl)-2-phenylsulfanyl-1,3-thiazole (PubChem CID 102165326) has the molecular formula C14H17N3S2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 5-(4-methylpiperazin-1-yl)-2-phenylsulfanyl-1,3-thiazole.

Molecular Properties

Compound Name5-(4-methylpiperazin-1-yl)-2-phenylsulfanyl-1,3-thiazole
PubChem CID102165326
Molecular FormulaC14H17N3S2
Molecular Weight291.44 g/mol
Exact Mass291.09
IUPAC Name5-(4-methylpiperazin-1-yl)-2-phenylsulfanyl-1,3-thiazole
SMILESCN1CCN(c2cnc(Sc3ccccc3)s2)CC1
InChIInChI=1S/C14H17N3S2/c1-16-7-9-17(10-8-16)13-11-15-14(19-13)18-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3
InChIKeyBGBZMBGJOMLMRO-UHFFFAOYSA-N
XLogP3.05
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.05
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 5-(4-methylpiperazin-1-yl)-2-phenylsulfanyl-1,3-thiazole?
The IUPAC name of 5-(4-methylpiperazin-1-yl)-2-phenylsulfanyl-1,3-thiazole (CID 102165326) is 5-(4-methylpiperazin-1-yl)-2-phenylsulfanyl-1,3-thiazole.
What is the SMILES notation for 5-(4-methylpiperazin-1-yl)-2-phenylsulfanyl-1,3-thiazole?
The canonical SMILES for 5-(4-methylpiperazin-1-yl)-2-phenylsulfanyl-1,3-thiazole is CN1CCN(c2cnc(Sc3ccccc3)s2)CC1.
What is the InChIKey of 5-(4-methylpiperazin-1-yl)-2-phenylsulfanyl-1,3-thiazole?
The InChIKey is BGBZMBGJOMLMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S2/c1-16-7-9-17(10-8-16)13-11-15-14(19-13)18-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3.
What are the key properties of 5-(4-methylpiperazin-1-yl)-2-phenylsulfanyl-1,3-thiazole?
5-(4-methylpiperazin-1-yl)-2-phenylsulfanyl-1,3-thiazole has a molecular weight of 291.44 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperazin-1-yl)-2-phenylsulfanyl-1,3-thiazole is sourced from PubChem (CID 102165326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).