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

C14H24N4OS2 — CID 46287558

IUPAC[4-amino-3-[2-(diethylamino)ethyl]-2-sulfanylidene-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESCCN(CC)CCn1c(N)c(C(=O)N2CCCC2)sc1=S
InChIInChI=1S/C14H24N4OS2/c1-3-16(4-2)9-10-18-12(15)11(21-14(18)20)13(19)17-7-5-6-8-17/h3-10,15H2,1-2H3
InChIKeyRTFGJRRVLSVKQW-UHFFFAOYSA-N
MW328.51 g/mol
LogP2.44
Rot. Bonds6

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

[4-amino-3-[2-(diethylamino)ethyl]-2-sulfanylidene-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 46287558) has the molecular formula C14H24N4OS2 and a molecular weight of 328.51 g/mol. Its IUPAC name is [4-amino-3-[2-(diethylamino)ethyl]-2-sulfanylidene-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-amino-3-[2-(diethylamino)ethyl]-2-sulfanylidene-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID46287558
Molecular FormulaC14H24N4OS2
Molecular Weight328.51 g/mol
Exact Mass328.14
IUPAC Name[4-amino-3-[2-(diethylamino)ethyl]-2-sulfanylidene-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESCCN(CC)CCn1c(N)c(C(=O)N2CCCC2)sc1=S
InChIInChI=1S/C14H24N4OS2/c1-3-16(4-2)9-10-18-12(15)11(21-14(18)20)13(19)17-7-5-6-8-17/h3-10,15H2,1-2H3
InChIKeyRTFGJRRVLSVKQW-UHFFFAOYSA-N
XLogP2.44
TPSA54.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.51
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-amino-3-[2-(diethylamino)ethyl]-2-sulfanylidene-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-amino-3-[2-(diethylamino)ethyl]-2-sulfanylidene-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone (CID 46287558) is [4-amino-3-[2-(diethylamino)ethyl]-2-sulfanylidene-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-amino-3-[2-(diethylamino)ethyl]-2-sulfanylidene-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-amino-3-[2-(diethylamino)ethyl]-2-sulfanylidene-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone is CCN(CC)CCn1c(N)c(C(=O)N2CCCC2)sc1=S.
What is the InChIKey of [4-amino-3-[2-(diethylamino)ethyl]-2-sulfanylidene-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is RTFGJRRVLSVKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS2/c1-3-16(4-2)9-10-18-12(15)11(21-14(18)20)13(19)17-7-5-6-8-17/h3-10,15H2,1-2H3.
What are the key properties of [4-amino-3-[2-(diethylamino)ethyl]-2-sulfanylidene-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone?
[4-amino-3-[2-(diethylamino)ethyl]-2-sulfanylidene-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 328.51 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-3-[2-(diethylamino)ethyl]-2-sulfanylidene-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 46287558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).