2-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide

C15H18N2OS2 — CID 47121427

IUPAC2-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
SMILESCSCC(=O)NCCc1ccc(-c2csc(C)n2)cc1
InChIInChI=1S/C15H18N2OS2/c1-11-17-14(9-20-11)13-5-3-12(4-6-13)7-8-16-15(18)10-19-2/h3-6,9H,7-8,10H2,1-2H3,(H,16,18)
InChIKeyQFJPONPPODLWIS-UHFFFAOYSA-N
MW306.46 g/mol
LogP3.14
Rot. Bonds6

About 2-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide

2-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide (PubChem CID 47121427) has the molecular formula C15H18N2OS2 and a molecular weight of 306.46 g/mol. Its IUPAC name is 2-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
PubChem CID47121427
Molecular FormulaC15H18N2OS2
Molecular Weight306.46 g/mol
Exact Mass306.09
IUPAC Name2-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
SMILESCSCC(=O)NCCc1ccc(-c2csc(C)n2)cc1
InChIInChI=1S/C15H18N2OS2/c1-11-17-14(9-20-11)13-5-3-12(4-6-13)7-8-16-15(18)10-19-2/h3-6,9H,7-8,10H2,1-2H3,(H,16,18)
InChIKeyQFJPONPPODLWIS-UHFFFAOYSA-N
XLogP3.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide
CID 51248570
3-amino-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide
CID 119308376
2-(2-methoxyethoxy)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
CID 108725440
4-amino-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide;dihydrochloride
CID 119837231
2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
CID 55438949
4-ethyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 16568166
2-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 25401259
3-[butyl(methyl)amino]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide
CID 108725486
2,2-dimethyl-N-[4-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylamino]-4-oxobutyl]propanamide
CID 51338645
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78869918
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2-(3-nitropyrazol-1-yl)acetamide
CID 55768756
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide;hydrochloride
CID 52984164

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide?
The IUPAC name of 2-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide (CID 47121427) is 2-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide?
The canonical SMILES for 2-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide is CSCC(=O)NCCc1ccc(-c2csc(C)n2)cc1.
What is the InChIKey of 2-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide?
The InChIKey is QFJPONPPODLWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS2/c1-11-17-14(9-20-11)13-5-3-12(4-6-13)7-8-16-15(18)10-19-2/h3-6,9H,7-8,10H2,1-2H3,(H,16,18).
What are the key properties of 2-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide?
2-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide has a molecular weight of 306.46 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide is sourced from PubChem (CID 47121427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).