N-[3-(dimethylamino)propyl]-N-ethyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide

C13H23N3OS2 — CID 102978960

IUPACN-[3-(dimethylamino)propyl]-N-ethyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
SMILESCCN(CCCN(C)C)C(=O)Cc1sc(=S)[nH]c1C
InChIInChI=1S/C13H23N3OS2/c1-5-16(8-6-7-15(3)4)12(17)9-11-10(2)14-13(18)19-11/h5-9H2,1-4H3,(H,14,18)
InChIKeySNLZXJHRXVVYHW-UHFFFAOYSA-N
MW301.48 g/mol
LogP2.46
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-N-ethyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide

N-[3-(dimethylamino)propyl]-N-ethyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide (PubChem CID 102978960) has the molecular formula C13H23N3OS2 and a molecular weight of 301.48 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-ethyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N-ethyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
PubChem CID102978960
Molecular FormulaC13H23N3OS2
Molecular Weight301.48 g/mol
Exact Mass301.13
IUPAC NameN-[3-(dimethylamino)propyl]-N-ethyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
SMILESCCN(CCCN(C)C)C(=O)Cc1sc(=S)[nH]c1C
InChIInChI=1S/C13H23N3OS2/c1-5-16(8-6-7-15(3)4)12(17)9-11-10(2)14-13(18)19-11/h5-9H2,1-4H3,(H,14,18)
InChIKeySNLZXJHRXVVYHW-UHFFFAOYSA-N
XLogP2.46
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.48
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-[3-(dimethylamino)propyl]-N-ethyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-N-ethyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide (CID 102978960) is N-[3-(dimethylamino)propyl]-N-ethyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N-ethyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N-ethyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide is CCN(CCCN(C)C)C(=O)Cc1sc(=S)[nH]c1C.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N-ethyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The InChIKey is SNLZXJHRXVVYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS2/c1-5-16(8-6-7-15(3)4)12(17)9-11-10(2)14-13(18)19-11/h5-9H2,1-4H3,(H,14,18).
What are the key properties of N-[3-(dimethylamino)propyl]-N-ethyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
N-[3-(dimethylamino)propyl]-N-ethyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide has a molecular weight of 301.48 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N-ethyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 102978960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).