N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(4-sulfanylphenyl)acetamide

C15H18N2OS2 — CID 107025586

IUPACN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(4-sulfanylphenyl)acetamide
SMILESCc1nc(C)c(C(C)NC(=O)Cc2ccc(S)cc2)s1
InChIInChI=1S/C15H18N2OS2/c1-9-15(20-11(3)16-9)10(2)17-14(18)8-12-4-6-13(19)7-5-12/h4-7,10,19H,8H2,1-3H3,(H,17,18)
InChIKeyNSAVCZISIHLHOB-UHFFFAOYSA-N
MW306.46 g/mol
LogP3.47
Rot. Bonds4

About N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(4-sulfanylphenyl)acetamide

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(4-sulfanylphenyl)acetamide (PubChem CID 107025586) has the molecular formula C15H18N2OS2 and a molecular weight of 306.46 g/mol. Its IUPAC name is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(4-sulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(4-sulfanylphenyl)acetamide
PubChem CID107025586
Molecular FormulaC15H18N2OS2
Molecular Weight306.46 g/mol
Exact Mass306.09
IUPAC NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(4-sulfanylphenyl)acetamide
SMILESCc1nc(C)c(C(C)NC(=O)Cc2ccc(S)cc2)s1
InChIInChI=1S/C15H18N2OS2/c1-9-15(20-11(3)16-9)10(2)17-14(18)8-12-4-6-13(19)7-5-12/h4-7,10,19H,8H2,1-3H3,(H,17,18)
InChIKeyNSAVCZISIHLHOB-UHFFFAOYSA-N
XLogP3.47
TPSA41.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide
CID 63681437
3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-oxopropanoic acid
CID 62232141
2-(3,5-dimethylpyrazol-1-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide
CID 47317448
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-sulfanylthiophene-2-carboxamide
CID 107025593
4-(chloromethyl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 61192187
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-fluoro-5-sulfanylbenzamide
CID 107025589
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide
CID 51121857
3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methyl-1-(naphthalen-2-ylmethyl)urea
CID 71889621
N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methylthiophene-2-carboxamide
CID 94033085
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-(2-methoxyphenyl)butanamide
CID 171132772
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]furan-2-carboxamide
CID 47317372
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-fluorobenzamide
CID 47317355

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(4-sulfanylphenyl)acetamide?
The IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(4-sulfanylphenyl)acetamide (CID 107025586) is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(4-sulfanylphenyl)acetamide.
What is the SMILES notation for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(4-sulfanylphenyl)acetamide?
The canonical SMILES for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(4-sulfanylphenyl)acetamide is Cc1nc(C)c(C(C)NC(=O)Cc2ccc(S)cc2)s1.
What is the InChIKey of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(4-sulfanylphenyl)acetamide?
The InChIKey is NSAVCZISIHLHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS2/c1-9-15(20-11(3)16-9)10(2)17-14(18)8-12-4-6-13(19)7-5-12/h4-7,10,19H,8H2,1-3H3,(H,17,18).
What are the key properties of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(4-sulfanylphenyl)acetamide?
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(4-sulfanylphenyl)acetamide has a molecular weight of 306.46 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(4-sulfanylphenyl)acetamide is sourced from PubChem (CID 107025586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).