4-amino-3-[3-(dimethylamino)propyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide

C9H16N4OS2 — CID 5311772

IUPAC4-amino-3-[3-(dimethylamino)propyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide
SMILESCN(C)CCCn1c(N)c(C(N)=O)sc1=S
InChIInChI=1S/C9H16N4OS2/c1-12(2)4-3-5-13-7(10)6(8(11)14)16-9(13)15/h3-5,10H2,1-2H3,(H2,11,14)
InChIKeyUVONNMUSZVSYPX-UHFFFAOYSA-N
MW260.39 g/mol
LogP0.91
Rot. Bonds5

About 4-amino-3-[3-(dimethylamino)propyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide

4-amino-3-[3-(dimethylamino)propyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide (PubChem CID 5311772) has the molecular formula C9H16N4OS2 and a molecular weight of 260.39 g/mol. Its IUPAC name is 4-amino-3-[3-(dimethylamino)propyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-3-[3-(dimethylamino)propyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide
PubChem CID5311772
Molecular FormulaC9H16N4OS2
Molecular Weight260.39 g/mol
Exact Mass260.08
IUPAC Name4-amino-3-[3-(dimethylamino)propyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide
SMILESCN(C)CCCn1c(N)c(C(N)=O)sc1=S
InChIInChI=1S/C9H16N4OS2/c1-12(2)4-3-5-13-7(10)6(8(11)14)16-9(13)15/h3-5,10H2,1-2H3,(H2,11,14)
InChIKeyUVONNMUSZVSYPX-UHFFFAOYSA-N
XLogP0.91
TPSA77.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.39
LogP ≤ 50.91
H-Bond Donors ≤ 52
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-[3-(dimethylamino)propyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-3-[3-(dimethylamino)propyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide (CID 5311772) is 4-amino-3-[3-(dimethylamino)propyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-3-[3-(dimethylamino)propyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-3-[3-(dimethylamino)propyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide is CN(C)CCCn1c(N)c(C(N)=O)sc1=S.
What is the InChIKey of 4-amino-3-[3-(dimethylamino)propyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The InChIKey is UVONNMUSZVSYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4OS2/c1-12(2)4-3-5-13-7(10)6(8(11)14)16-9(13)15/h3-5,10H2,1-2H3,(H2,11,14).
What are the key properties of 4-amino-3-[3-(dimethylamino)propyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide?
4-amino-3-[3-(dimethylamino)propyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide has a molecular weight of 260.39 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[3-(dimethylamino)propyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 5311772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).