N-benzyl-N-(1-cyclopropylethyl)-2-(1,3-thiazol-2-ylsulfanyl)acetamide

C17H20N2OS2 — CID 60531411

IUPACN-benzyl-N-(1-cyclopropylethyl)-2-(1,3-thiazol-2-ylsulfanyl)acetamide
SMILESCC(C1CC1)N(Cc1ccccc1)C(=O)CSc1nccs1
InChIInChI=1S/C17H20N2OS2/c1-13(15-7-8-15)19(11-14-5-3-2-4-6-14)16(20)12-22-17-18-9-10-21-17/h2-6,9-10,13,15H,7-8,11-12H2,1H3
InChIKeyJBRABOIDQXHLBC-UHFFFAOYSA-N
MW332.49 g/mol
LogP4.06
Rot. Bonds7

About N-benzyl-N-(1-cyclopropylethyl)-2-(1,3-thiazol-2-ylsulfanyl)acetamide

N-benzyl-N-(1-cyclopropylethyl)-2-(1,3-thiazol-2-ylsulfanyl)acetamide (PubChem CID 60531411) has the molecular formula C17H20N2OS2 and a molecular weight of 332.49 g/mol. Its IUPAC name is N-benzyl-N-(1-cyclopropylethyl)-2-(1,3-thiazol-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-benzyl-N-(1-cyclopropylethyl)-2-(1,3-thiazol-2-ylsulfanyl)acetamide
PubChem CID60531411
Molecular FormulaC17H20N2OS2
Molecular Weight332.49 g/mol
Exact Mass332.10
IUPAC NameN-benzyl-N-(1-cyclopropylethyl)-2-(1,3-thiazol-2-ylsulfanyl)acetamide
SMILESCC(C1CC1)N(Cc1ccccc1)C(=O)CSc1nccs1
InChIInChI=1S/C17H20N2OS2/c1-13(15-7-8-15)19(11-14-5-3-2-4-6-14)16(20)12-22-17-18-9-10-21-17/h2-6,9-10,13,15H,7-8,11-12H2,1H3
InChIKeyJBRABOIDQXHLBC-UHFFFAOYSA-N
XLogP4.06
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-(1-cyclopropylethyl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
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CID 55399369
N-benzyl-N-(1-cyclopropylethyl)-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 55399283
N-benzyl-N-(1-cyclopropylethyl)-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 24652967
3-amino-N-benzyl-N-(1-cyclopropylethyl)propanamide;hydrochloride
CID 119265819
1-benzyl-1-[(1R)-1-cyclopropylethyl]-3-(pyridin-2-ylmethyl)urea
CID 95158324
3-amino-N-benzyl-N-(1-cyclopropylethyl)-3-phenylpropanamide
CID 119948804
N-benzyl-5-chloro-N-(1-cyclopropylethyl)pentanamide
CID 60948375
N-benzyl-N-(1-cyclopropylethyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 55557175
N-benzyl-N-(1-cyclopropylethyl)-4-hydroxypentanamide
CID 79200111
N-benzyl-N-(1-cyclopropylethyl)pentanamide
CID 78805275
N-benzyl-N-(1-cyclopropylethyl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 51215753

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(1-cyclopropylethyl)-2-(1,3-thiazol-2-ylsulfanyl)acetamide?
The IUPAC name of N-benzyl-N-(1-cyclopropylethyl)-2-(1,3-thiazol-2-ylsulfanyl)acetamide (CID 60531411) is N-benzyl-N-(1-cyclopropylethyl)-2-(1,3-thiazol-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-benzyl-N-(1-cyclopropylethyl)-2-(1,3-thiazol-2-ylsulfanyl)acetamide?
The canonical SMILES for N-benzyl-N-(1-cyclopropylethyl)-2-(1,3-thiazol-2-ylsulfanyl)acetamide is CC(C1CC1)N(Cc1ccccc1)C(=O)CSc1nccs1.
What is the InChIKey of N-benzyl-N-(1-cyclopropylethyl)-2-(1,3-thiazol-2-ylsulfanyl)acetamide?
The InChIKey is JBRABOIDQXHLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS2/c1-13(15-7-8-15)19(11-14-5-3-2-4-6-14)16(20)12-22-17-18-9-10-21-17/h2-6,9-10,13,15H,7-8,11-12H2,1H3.
What are the key properties of N-benzyl-N-(1-cyclopropylethyl)-2-(1,3-thiazol-2-ylsulfanyl)acetamide?
N-benzyl-N-(1-cyclopropylethyl)-2-(1,3-thiazol-2-ylsulfanyl)acetamide has a molecular weight of 332.49 g/mol, XLogP of 4.06, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(1-cyclopropylethyl)-2-(1,3-thiazol-2-ylsulfanyl)acetamide is sourced from PubChem (CID 60531411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).