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

C15H18N2OS2 — CID 47061906

IUPACN-[2-methylsulfanyl-4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESCSc1cc(-c2csc(C(C)C)n2)ccc1NC(C)=O
InChIInChI=1S/C15H18N2OS2/c1-9(2)15-17-13(8-20-15)11-5-6-12(16-10(3)18)14(7-11)19-4/h5-9H,1-4H3,(H,16,18)
InChIKeyIVNDNZLUOWRYHY-UHFFFAOYSA-N
MW306.46 g/mol
LogP4.61
Rot. Bonds4

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

N-[2-methylsulfanyl-4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]acetamide (PubChem CID 47061906) has the molecular formula C15H18N2OS2 and a molecular weight of 306.46 g/mol. Its IUPAC name is N-[2-methylsulfanyl-4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-methylsulfanyl-4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]acetamide
PubChem CID47061906
Molecular FormulaC15H18N2OS2
Molecular Weight306.46 g/mol
Exact Mass306.09
IUPAC NameN-[2-methylsulfanyl-4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESCSc1cc(-c2csc(C(C)C)n2)ccc1NC(C)=O
InChIInChI=1S/C15H18N2OS2/c1-9(2)15-17-13(8-20-15)11-5-6-12(16-10(3)18)14(7-11)19-4/h5-9H,1-4H3,(H,16,18)
InChIKeyIVNDNZLUOWRYHY-UHFFFAOYSA-N
XLogP4.61
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methylsulfanyl-4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 47061841
N-[4-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-2-methylsulfanylphenyl]acetamide
CID 47061837
3-(2-propan-2-yl-1,3-thiazol-4-yl)benzoic acid
CID 55165398
4-(3-fluoro-4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole
CID 59333191
N-[2-hydroxy-5-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 135705051
4-phenyl-2-propan-2-yl-1,3-thiazole
CID 604821
3-methoxy-N-[3-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 21358404
N-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 118630380
4-[[3-(2-propan-2-yl-1,3-thiazol-4-yl)phenoxy]methyl]benzoic acid
CID 83967623
1-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]ethanol
CID 63379443
3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanoic acid
CID 82121712
2-methylsulfanyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 8610272

Frequently Asked Questions

What is the IUPAC name of N-[2-methylsulfanyl-4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]acetamide?
The IUPAC name of N-[2-methylsulfanyl-4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]acetamide (CID 47061906) is N-[2-methylsulfanyl-4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]acetamide.
What is the SMILES notation for N-[2-methylsulfanyl-4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]acetamide?
The canonical SMILES for N-[2-methylsulfanyl-4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]acetamide is CSc1cc(-c2csc(C(C)C)n2)ccc1NC(C)=O.
What is the InChIKey of N-[2-methylsulfanyl-4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]acetamide?
The InChIKey is IVNDNZLUOWRYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS2/c1-9(2)15-17-13(8-20-15)11-5-6-12(16-10(3)18)14(7-11)19-4/h5-9H,1-4H3,(H,16,18).
What are the key properties of N-[2-methylsulfanyl-4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]acetamide?
N-[2-methylsulfanyl-4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]acetamide has a molecular weight of 306.46 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methylsulfanyl-4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 47061906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).