4-amino-3-[2-(diethylamino)ethyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide

C10H18N4OS2 — CID 46287554

IUPAC4-amino-3-[2-(diethylamino)ethyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide
SMILESCCN(CC)CCn1c(N)c(C(N)=O)sc1=S
InChIInChI=1S/C10H18N4OS2/c1-3-13(4-2)5-6-14-8(11)7(9(12)15)17-10(14)16/h3-6,11H2,1-2H3,(H2,12,15)
InChIKeyASGXHRQGHVFQHL-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.30
Rot. Bonds6

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

4-amino-3-[2-(diethylamino)ethyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide (PubChem CID 46287554) has the molecular formula C10H18N4OS2 and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-amino-3-[2-(diethylamino)ethyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-3-[2-(diethylamino)ethyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide
PubChem CID46287554
Molecular FormulaC10H18N4OS2
Molecular Weight274.41 g/mol
Exact Mass274.09
IUPAC Name4-amino-3-[2-(diethylamino)ethyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide
SMILESCCN(CC)CCn1c(N)c(C(N)=O)sc1=S
InChIInChI=1S/C10H18N4OS2/c1-3-13(4-2)5-6-14-8(11)7(9(12)15)17-10(14)16/h3-6,11H2,1-2H3,(H2,12,15)
InChIKeyASGXHRQGHVFQHL-UHFFFAOYSA-N
XLogP1.30
TPSA77.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-Amino-3-ethyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
CID 651943
3-Allyl-4-amino-5-((4-methyl-1-piperazinyl)carbonyl)-1,3-thiazole-2(3H)-thione
CID 752646
4-Amino-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide;hydrate
CID 22298812
4-Amino-3-propyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
CID 45029036
4-Amino-3-[2-(diethylamino)ethyl]-5-(piperidine-1-carbonyl)-2,3-dihydro-1,3-thiazole-2-thione
CID 46287559
4-Amino-3-[3-(dimethylamino)propyl]-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
CID 5311772
3-(4-Amino-5-carbamoyl-2-sulfanylidene-1,3-thiazol-3-yl)propyl-dimethylazanium
CID 8033152
4-Amino-3-[2-(diethylamino)ethyl]-5-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,3-thiazole-2-thione
CID 46287558

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[2-(diethylamino)ethyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-3-[2-(diethylamino)ethyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide (CID 46287554) is 4-amino-3-[2-(diethylamino)ethyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-3-[2-(diethylamino)ethyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-3-[2-(diethylamino)ethyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide is CCN(CC)CCn1c(N)c(C(N)=O)sc1=S.
What is the InChIKey of 4-amino-3-[2-(diethylamino)ethyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The InChIKey is ASGXHRQGHVFQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS2/c1-3-13(4-2)5-6-14-8(11)7(9(12)15)17-10(14)16/h3-6,11H2,1-2H3,(H2,12,15).
What are the key properties of 4-amino-3-[2-(diethylamino)ethyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide?
4-amino-3-[2-(diethylamino)ethyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 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-thiazole-5-carboxamide is sourced from PubChem (CID 46287554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).