N-[4-(3-aminobutylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide

C10H17N3OS2 — CID 66233966

IUPACN-[4-(3-aminobutylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CSCCC(C)N)cs1
InChIInChI=1S/C10H17N3OS2/c1-7(11)3-4-15-5-9-6-16-10(13-9)12-8(2)14/h6-7H,3-5,11H2,1-2H3,(H,12,13,14)
InChIKeyXLCMKQRNJRKYET-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.07
Rot. Bonds6

About N-[4-(3-aminobutylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide

N-[4-(3-aminobutylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 66233966) has the molecular formula C10H17N3OS2 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-[4-(3-aminobutylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(3-aminobutylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide
PubChem CID66233966
Molecular FormulaC10H17N3OS2
Molecular Weight259.40 g/mol
Exact Mass259.08
IUPAC NameN-[4-(3-aminobutylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CSCCC(C)N)cs1
InChIInChI=1S/C10H17N3OS2/c1-7(11)3-4-15-5-9-6-16-10(13-9)12-8(2)14/h6-7H,3-5,11H2,1-2H3,(H,12,13,14)
InChIKeyXLCMKQRNJRKYET-UHFFFAOYSA-N
XLogP2.07
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-(3-aminobutylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2-acetamido-1,3-thiazol-4-yl)methylsulfanyl]-2-aminopropanoic acid
CID 43414247
N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide
CID 47263059
ethyl 4-(3-aminobutylsulfanylmethyl)-1,3-thiazole-2-carboxylate
CID 66235057
N-[4-[(2-amino-2-oxoethyl)sulfanylmethyl]-1,3-thiazol-2-yl]-2-chloropropanamide
CID 16820645
N-[4-[(1-methylpyrazol-3-yl)methylsulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 75456632
N-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 112777799
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
2-[(2-acetamido-1,3-thiazol-4-yl)methylamino]propanoic acid
CID 43466795
N-[4-[(2-amino-4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 43304111
4-(3-methylbutylsulfanylmethyl)-1,3-thiazole-2-carboxylic acid
CID 107746403
N-[4-(pyridin-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide
CID 29437348
2-amino-4-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanyl]butanoic acid
CID 60929744

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminobutylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-(3-aminobutylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide (CID 66233966) is N-[4-(3-aminobutylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-(3-aminobutylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-(3-aminobutylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(CSCCC(C)N)cs1.
What is the InChIKey of N-[4-(3-aminobutylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is XLCMKQRNJRKYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS2/c1-7(11)3-4-15-5-9-6-16-10(13-9)12-8(2)14/h6-7H,3-5,11H2,1-2H3,(H,12,13,14).
What are the key properties of N-[4-(3-aminobutylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide?
N-[4-(3-aminobutylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 259.40 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminobutylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 66233966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).