N-hexyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide

C12H20N2OS2 — CID 47115851

IUPACN-hexyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCCCCCCNC(=O)CSc1nc(C)cs1
InChIInChI=1S/C12H20N2OS2/c1-3-4-5-6-7-13-11(15)9-17-12-14-10(2)8-16-12/h8H,3-7,9H2,1-2H3,(H,13,15)
InChIKeyOCQRNAJOGQMMGZ-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.24
Rot. Bonds8

About N-hexyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide

N-hexyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide (PubChem CID 47115851) has the molecular formula C12H20N2OS2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-hexyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-hexyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
PubChem CID47115851
Molecular FormulaC12H20N2OS2
Molecular Weight272.44 g/mol
Exact Mass272.10
IUPAC NameN-hexyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCCCCCCNC(=O)CSc1nc(C)cs1
InChIInChI=1S/C12H20N2OS2/c1-3-4-5-6-7-13-11(15)9-17-12-14-10(2)8-16-12/h8H,3-7,9H2,1-2H3,(H,13,15)
InChIKeyOCQRNAJOGQMMGZ-UHFFFAOYSA-N
XLogP3.24
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-hexyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 47115885
N-hexyl-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 110484487
N-(3,3-diphenylpropyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 8002458
2-[2-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-pentylacetamide
CID 16898725
1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-one
CID 43414039
N-[(3-chlorophenyl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2497131
N-butyl-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 110484403
N-(4-acetamidophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 4031072
3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-pentyl-1-benzofuran-2-carboxamide
CID 39754491
sodium 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetate
CID 84818244
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(prop-2-enylcarbamoyl)acetamide
CID 4815457
N-(3,5-dichlorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2532912

Frequently Asked Questions

What is the IUPAC name of N-hexyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-hexyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide (CID 47115851) is N-hexyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-hexyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-hexyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide is CCCCCCNC(=O)CSc1nc(C)cs1.
What is the InChIKey of N-hexyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The InChIKey is OCQRNAJOGQMMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS2/c1-3-4-5-6-7-13-11(15)9-17-12-14-10(2)8-16-12/h8H,3-7,9H2,1-2H3,(H,13,15).
What are the key properties of N-hexyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
N-hexyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide has a molecular weight of 272.44 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 47115851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).