2-[3,5-bis(1,3-thiazol-2-yl)-1,3,5-triazinan-1-yl]ethanethiol

C11H15N5S3 — CID 17354893

IUPAC2-[3,5-bis(1,3-thiazol-2-yl)-1,3,5-triazinan-1-yl]ethanethiol
SMILESSCCN1CN(c2nccs2)CN(c2nccs2)C1
InChIInChI=1S/C11H15N5S3/c17-4-3-14-7-15(10-12-1-5-18-10)9-16(8-14)11-13-2-6-19-11/h1-2,5-6,17H,3-4,7-9H2
InChIKeyUKFPMEVVKVAPIH-UHFFFAOYSA-N
MW313.48 g/mol
LogP2.03
Rot. Bonds4

About 2-[3,5-bis(1,3-thiazol-2-yl)-1,3,5-triazinan-1-yl]ethanethiol

2-[3,5-bis(1,3-thiazol-2-yl)-1,3,5-triazinan-1-yl]ethanethiol (PubChem CID 17354893) has the molecular formula C11H15N5S3 and a molecular weight of 313.48 g/mol. Its IUPAC name is 2-[3,5-bis(1,3-thiazol-2-yl)-1,3,5-triazinan-1-yl]ethanethiol.

Molecular Properties

Compound Name2-[3,5-bis(1,3-thiazol-2-yl)-1,3,5-triazinan-1-yl]ethanethiol
PubChem CID17354893
Molecular FormulaC11H15N5S3
Molecular Weight313.48 g/mol
Exact Mass313.05
IUPAC Name2-[3,5-bis(1,3-thiazol-2-yl)-1,3,5-triazinan-1-yl]ethanethiol
SMILESSCCN1CN(c2nccs2)CN(c2nccs2)C1
InChIInChI=1S/C11H15N5S3/c17-4-3-14-7-15(10-12-1-5-18-10)9-16(8-14)11-13-2-6-19-11/h1-2,5-6,17H,3-4,7-9H2
InChIKeyUKFPMEVVKVAPIH-UHFFFAOYSA-N
XLogP2.03
TPSA35.50 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.48
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-[3,5-bis(1,3-thiazol-2-yl)-1,3,5-triazinan-1-yl]ethanethiol 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 2-[3,5-bis(1,3-thiazol-2-yl)-1,3,5-triazinan-1-yl]ethanethiol?
The IUPAC name of 2-[3,5-bis(1,3-thiazol-2-yl)-1,3,5-triazinan-1-yl]ethanethiol (CID 17354893) is 2-[3,5-bis(1,3-thiazol-2-yl)-1,3,5-triazinan-1-yl]ethanethiol.
What is the SMILES notation for 2-[3,5-bis(1,3-thiazol-2-yl)-1,3,5-triazinan-1-yl]ethanethiol?
The canonical SMILES for 2-[3,5-bis(1,3-thiazol-2-yl)-1,3,5-triazinan-1-yl]ethanethiol is SCCN1CN(c2nccs2)CN(c2nccs2)C1.
What is the InChIKey of 2-[3,5-bis(1,3-thiazol-2-yl)-1,3,5-triazinan-1-yl]ethanethiol?
The InChIKey is UKFPMEVVKVAPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5S3/c17-4-3-14-7-15(10-12-1-5-18-10)9-16(8-14)11-13-2-6-19-11/h1-2,5-6,17H,3-4,7-9H2.
What are the key properties of 2-[3,5-bis(1,3-thiazol-2-yl)-1,3,5-triazinan-1-yl]ethanethiol?
2-[3,5-bis(1,3-thiazol-2-yl)-1,3,5-triazinan-1-yl]ethanethiol has a molecular weight of 313.48 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(1,3-thiazol-2-yl)-1,3,5-triazinan-1-yl]ethanethiol is sourced from PubChem (CID 17354893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).