[4-amino-3-(3-methoxypropyl)-2-sulfanylidene-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone

C12H19N3O2S2 — CID 2405334

IUPAC[4-amino-3-(3-methoxypropyl)-2-sulfanylidene-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESCOCCCn1c(N)c(C(=O)N2CCCC2)sc1=S
InChIInChI=1S/C12H19N3O2S2/c1-17-8-4-7-15-10(13)9(19-12(15)18)11(16)14-5-2-3-6-14/h2-8,13H2,1H3
InChIKeyUSVPTFHGSVKBLZ-UHFFFAOYSA-N
MW301.44 g/mol
LogP2.13
Rot. Bonds5

About [4-amino-3-(3-methoxypropyl)-2-sulfanylidene-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone

[4-amino-3-(3-methoxypropyl)-2-sulfanylidene-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 2405334) has the molecular formula C12H19N3O2S2 and a molecular weight of 301.44 g/mol. Its IUPAC name is [4-amino-3-(3-methoxypropyl)-2-sulfanylidene-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-amino-3-(3-methoxypropyl)-2-sulfanylidene-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID2405334
Molecular FormulaC12H19N3O2S2
Molecular Weight301.44 g/mol
Exact Mass301.09
IUPAC Name[4-amino-3-(3-methoxypropyl)-2-sulfanylidene-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESCOCCCn1c(N)c(C(=O)N2CCCC2)sc1=S
InChIInChI=1S/C12H19N3O2S2/c1-17-8-4-7-15-10(13)9(19-12(15)18)11(16)14-5-2-3-6-14/h2-8,13H2,1H3
InChIKeyUSVPTFHGSVKBLZ-UHFFFAOYSA-N
XLogP2.13
TPSA60.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [4-amino-3-(3-methoxypropyl)-2-sulfanylidene-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone 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 [4-amino-3-(3-methoxypropyl)-2-sulfanylidene-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-amino-3-(3-methoxypropyl)-2-sulfanylidene-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone (CID 2405334) is [4-amino-3-(3-methoxypropyl)-2-sulfanylidene-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-amino-3-(3-methoxypropyl)-2-sulfanylidene-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-amino-3-(3-methoxypropyl)-2-sulfanylidene-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone is COCCCn1c(N)c(C(=O)N2CCCC2)sc1=S.
What is the InChIKey of [4-amino-3-(3-methoxypropyl)-2-sulfanylidene-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is USVPTFHGSVKBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S2/c1-17-8-4-7-15-10(13)9(19-12(15)18)11(16)14-5-2-3-6-14/h2-8,13H2,1H3.
What are the key properties of [4-amino-3-(3-methoxypropyl)-2-sulfanylidene-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone?
[4-amino-3-(3-methoxypropyl)-2-sulfanylidene-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 301.44 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-3-(3-methoxypropyl)-2-sulfanylidene-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 2405334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).