(4-methylthiadiazol-5-yl)-[(2S)-2-thiophen-3-yl-1,3-thiazolidin-3-yl]methanone

C11H11N3OS3 — CID 99985669

IUPAC(4-methylthiadiazol-5-yl)-[(2S)-2-thiophen-3-yl-1,3-thiazolidin-3-yl]methanone
SMILESCc1nnsc1C(=O)N1CCS[C@H]1c1ccsc1
InChIInChI=1S/C11H11N3OS3/c1-7-9(18-13-12-7)10(15)14-3-5-17-11(14)8-2-4-16-6-8/h2,4,6,11H,3,5H2,1H3/t11-/m0/s1
InChIKeyBSHGVIUTVPJIEU-NSHDSACASA-N
MW297.43 g/mol
LogP2.80
Rot. Bonds2

About (4-methylthiadiazol-5-yl)-[(2S)-2-thiophen-3-yl-1,3-thiazolidin-3-yl]methanone

(4-methylthiadiazol-5-yl)-[(2S)-2-thiophen-3-yl-1,3-thiazolidin-3-yl]methanone (PubChem CID 99985669) has the molecular formula C11H11N3OS3 and a molecular weight of 297.43 g/mol. Its IUPAC name is (4-methylthiadiazol-5-yl)-[(2S)-2-thiophen-3-yl-1,3-thiazolidin-3-yl]methanone.

Molecular Properties

Compound Name(4-methylthiadiazol-5-yl)-[(2S)-2-thiophen-3-yl-1,3-thiazolidin-3-yl]methanone
PubChem CID99985669
Molecular FormulaC11H11N3OS3
Molecular Weight297.43 g/mol
Exact Mass297.01
IUPAC Name(4-methylthiadiazol-5-yl)-[(2S)-2-thiophen-3-yl-1,3-thiazolidin-3-yl]methanone
SMILESCc1nnsc1C(=O)N1CCS[C@H]1c1ccsc1
InChIInChI=1S/C11H11N3OS3/c1-7-9(18-13-12-7)10(15)14-3-5-17-11(14)8-2-4-16-6-8/h2,4,6,11H,3,5H2,1H3/t11-/m0/s1
InChIKeyBSHGVIUTVPJIEU-NSHDSACASA-N
XLogP2.80
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-methylthiadiazol-5-yl)-[(2S)-2-thiophen-3-yl-1,3-thiazolidin-3-yl]methanone?
The IUPAC name of (4-methylthiadiazol-5-yl)-[(2S)-2-thiophen-3-yl-1,3-thiazolidin-3-yl]methanone (CID 99985669) is (4-methylthiadiazol-5-yl)-[(2S)-2-thiophen-3-yl-1,3-thiazolidin-3-yl]methanone.
What is the SMILES notation for (4-methylthiadiazol-5-yl)-[(2S)-2-thiophen-3-yl-1,3-thiazolidin-3-yl]methanone?
The canonical SMILES for (4-methylthiadiazol-5-yl)-[(2S)-2-thiophen-3-yl-1,3-thiazolidin-3-yl]methanone is Cc1nnsc1C(=O)N1CCS[C@H]1c1ccsc1.
What is the InChIKey of (4-methylthiadiazol-5-yl)-[(2S)-2-thiophen-3-yl-1,3-thiazolidin-3-yl]methanone?
The InChIKey is BSHGVIUTVPJIEU-NSHDSACASA-N. The full InChI is InChI=1S/C11H11N3OS3/c1-7-9(18-13-12-7)10(15)14-3-5-17-11(14)8-2-4-16-6-8/h2,4,6,11H,3,5H2,1H3/t11-/m0/s1.
What are the key properties of (4-methylthiadiazol-5-yl)-[(2S)-2-thiophen-3-yl-1,3-thiazolidin-3-yl]methanone?
(4-methylthiadiazol-5-yl)-[(2S)-2-thiophen-3-yl-1,3-thiazolidin-3-yl]methanone has a molecular weight of 297.43 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthiadiazol-5-yl)-[(2S)-2-thiophen-3-yl-1,3-thiazolidin-3-yl]methanone is sourced from PubChem (CID 99985669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).