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

C17H15N3OS2 — CID 47061841

IUPACN-[2-methylsulfanyl-4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESCSc1cc(-c2csc(-c3ccncc3)n2)ccc1NC(C)=O
InChIInChI=1S/C17H15N3OS2/c1-11(21)19-14-4-3-13(9-16(14)22-2)15-10-23-17(20-15)12-5-7-18-8-6-12/h3-10H,1-2H3,(H,19,21)
InChIKeyJAGCSNQMGYGIKD-UHFFFAOYSA-N
MW341.46 g/mol
LogP4.55
Rot. Bonds4

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

N-[2-methylsulfanyl-4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide (PubChem CID 47061841) has the molecular formula C17H15N3OS2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[2-methylsulfanyl-4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-methylsulfanyl-4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
PubChem CID47061841
Molecular FormulaC17H15N3OS2
Molecular Weight341.46 g/mol
Exact Mass341.07
IUPAC NameN-[2-methylsulfanyl-4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESCSc1cc(-c2csc(-c3ccncc3)n2)ccc1NC(C)=O
InChIInChI=1S/C17H15N3OS2/c1-11(21)19-14-4-3-13(9-16(14)22-2)15-10-23-17(20-15)12-5-7-18-8-6-12/h3-10H,1-2H3,(H,19,21)
InChIKeyJAGCSNQMGYGIKD-UHFFFAOYSA-N
XLogP4.55
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-methylsulfanyl-4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 47061906
N-[4-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-2-methylsulfanylphenyl]acetamide
CID 47061837
N-[2-hydroxy-5-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 135705051
2-methyl-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108748693
N-[3-acetamido-4-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 9421199
N-(3,5-dimethylphenyl)-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 100597321
N-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 31263128
N-(5-chloro-2-methylphenyl)-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 100597512
2,6-dimethoxy-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108770580
4-(3-fluoro-4-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazole
CID 31263109
N-[3-fluoro-4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 135569925
N-naphthalen-1-yl-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 100597375

Frequently Asked Questions

What is the IUPAC name of N-[2-methylsulfanyl-4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide?
The IUPAC name of N-[2-methylsulfanyl-4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide (CID 47061841) is N-[2-methylsulfanyl-4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide.
What is the SMILES notation for N-[2-methylsulfanyl-4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide?
The canonical SMILES for N-[2-methylsulfanyl-4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide is CSc1cc(-c2csc(-c3ccncc3)n2)ccc1NC(C)=O.
What is the InChIKey of N-[2-methylsulfanyl-4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide?
The InChIKey is JAGCSNQMGYGIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS2/c1-11(21)19-14-4-3-13(9-16(14)22-2)15-10-23-17(20-15)12-5-7-18-8-6-12/h3-10H,1-2H3,(H,19,21).
What are the key properties of N-[2-methylsulfanyl-4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide?
N-[2-methylsulfanyl-4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide has a molecular weight of 341.46 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methylsulfanyl-4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 47061841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).