2-[4-(2-aminoethylsulfanylmethyl)-1,3-thiazol-2-yl]-N,N-dimethylacetamide

C10H17N3OS2 — CID 43249455

IUPAC2-[4-(2-aminoethylsulfanylmethyl)-1,3-thiazol-2-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1nc(CSCCN)cs1
InChIInChI=1S/C10H17N3OS2/c1-13(2)10(14)5-9-12-8(7-16-9)6-15-4-3-11/h7H,3-6,11H2,1-2H3
InChIKeyIQMLILUJKPKKRE-UHFFFAOYSA-N
MW259.40 g/mol
LogP0.97
Rot. Bonds6

About 2-[4-(2-aminoethylsulfanylmethyl)-1,3-thiazol-2-yl]-N,N-dimethylacetamide

2-[4-(2-aminoethylsulfanylmethyl)-1,3-thiazol-2-yl]-N,N-dimethylacetamide (PubChem CID 43249455) has the molecular formula C10H17N3OS2 and a molecular weight of 259.40 g/mol. Its IUPAC name is 2-[4-(2-aminoethylsulfanylmethyl)-1,3-thiazol-2-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-(2-aminoethylsulfanylmethyl)-1,3-thiazol-2-yl]-N,N-dimethylacetamide
PubChem CID43249455
Molecular FormulaC10H17N3OS2
Molecular Weight259.40 g/mol
Exact Mass259.08
IUPAC Name2-[4-(2-aminoethylsulfanylmethyl)-1,3-thiazol-2-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1nc(CSCCN)cs1
InChIInChI=1S/C10H17N3OS2/c1-13(2)10(14)5-9-12-8(7-16-9)6-15-4-3-11/h7H,3-6,11H2,1-2H3
InChIKeyIQMLILUJKPKKRE-UHFFFAOYSA-N
XLogP0.97
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N,N-dimethylacetamide
CID 82112319
2-[4-(iodomethyl)-1,3-thiazol-2-yl]-N,N-dimethylacetamide
CID 64787196
2-[4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide
CID 43247566
2-[[2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methylsulfanyl]-3-methylbutanoic acid
CID 105353977
2-[4-[(2-amino-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide
CID 43249930
ethyl 3-[[2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl-methylamino]propanoate
CID 62011847
2-[4-[[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide
CID 79410604
1-[4-(2-aminoethylsulfanylmethyl)-1,3-thiazol-2-yl]-1,2-dimethylguanidine;dihydrochloride
CID 70480823
2-[4-[[(3S)-3-aminopyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide
CID 94340607
2-[[2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methylamino]-3-methylbutanoic acid
CID 43468665
2-(4-ethyl-1,3-thiazol-2-yl)acetamide
CID 116970126
2-[1-[[2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]azetidin-3-yl]acetic acid
CID 64616893

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethylsulfanylmethyl)-1,3-thiazol-2-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-(2-aminoethylsulfanylmethyl)-1,3-thiazol-2-yl]-N,N-dimethylacetamide (CID 43249455) is 2-[4-(2-aminoethylsulfanylmethyl)-1,3-thiazol-2-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-(2-aminoethylsulfanylmethyl)-1,3-thiazol-2-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-(2-aminoethylsulfanylmethyl)-1,3-thiazol-2-yl]-N,N-dimethylacetamide is CN(C)C(=O)Cc1nc(CSCCN)cs1.
What is the InChIKey of 2-[4-(2-aminoethylsulfanylmethyl)-1,3-thiazol-2-yl]-N,N-dimethylacetamide?
The InChIKey is IQMLILUJKPKKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS2/c1-13(2)10(14)5-9-12-8(7-16-9)6-15-4-3-11/h7H,3-6,11H2,1-2H3.
What are the key properties of 2-[4-(2-aminoethylsulfanylmethyl)-1,3-thiazol-2-yl]-N,N-dimethylacetamide?
2-[4-(2-aminoethylsulfanylmethyl)-1,3-thiazol-2-yl]-N,N-dimethylacetamide has a molecular weight of 259.40 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethylsulfanylmethyl)-1,3-thiazol-2-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 43249455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).