N-methyl-N-[(4-methylthiophen-2-yl)methyl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide

C16H16N4OS2 — CID 166260992

IUPACN-methyl-N-[(4-methylthiophen-2-yl)methyl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCc1csc(CN(C)C(=O)Cc2csc(-c3cnccn3)n2)c1
InChIInChI=1S/C16H16N4OS2/c1-11-5-13(22-9-11)8-20(2)15(21)6-12-10-23-16(19-12)14-7-17-3-4-18-14/h3-5,7,9-10H,6,8H2,1-2H3
InChIKeyZSVOKFMBTCIUKR-UHFFFAOYSA-N
MW344.47 g/mol
LogP3.17
Rot. Bonds5

About N-methyl-N-[(4-methylthiophen-2-yl)methyl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide

N-methyl-N-[(4-methylthiophen-2-yl)methyl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 166260992) has the molecular formula C16H16N4OS2 and a molecular weight of 344.47 g/mol. Its IUPAC name is N-methyl-N-[(4-methylthiophen-2-yl)methyl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-[(4-methylthiophen-2-yl)methyl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide
PubChem CID166260992
Molecular FormulaC16H16N4OS2
Molecular Weight344.47 g/mol
Exact Mass344.08
IUPAC NameN-methyl-N-[(4-methylthiophen-2-yl)methyl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCc1csc(CN(C)C(=O)Cc2csc(-c3cnccn3)n2)c1
InChIInChI=1S/C16H16N4OS2/c1-11-5-13(22-9-11)8-20(2)15(21)6-12-10-23-16(19-12)14-7-17-3-4-18-14/h3-5,7,9-10H,6,8H2,1-2H3
InChIKeyZSVOKFMBTCIUKR-UHFFFAOYSA-N
XLogP3.17
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.47
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide
CID 111596698
ethyl 3-(2-pyrazin-2-yl-1,3-thiazol-4-yl)propanoate
CID 103485378
N-methyl-N-(pyridin-2-ylmethyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 86839960
N-methyl-N-[(4-phenylphenyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 134054093
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 47031583
N-[2-(dimethylamino)ethyl]-N-methyl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 46981951
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 86907201
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 131893307
4-(chloromethyl)-2-pyrazin-2-yl-1,3-thiazole
CID 23025076
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 33163824
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 111663091
N-methyl-N-(2-pyridin-2-ylethyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 134017603

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methylthiophen-2-yl)methyl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-methyl-N-[(4-methylthiophen-2-yl)methyl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide (CID 166260992) is N-methyl-N-[(4-methylthiophen-2-yl)methyl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-methyl-N-[(4-methylthiophen-2-yl)methyl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-methyl-N-[(4-methylthiophen-2-yl)methyl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide is Cc1csc(CN(C)C(=O)Cc2csc(-c3cnccn3)n2)c1.
What is the InChIKey of N-methyl-N-[(4-methylthiophen-2-yl)methyl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is ZSVOKFMBTCIUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS2/c1-11-5-13(22-9-11)8-20(2)15(21)6-12-10-23-16(19-12)14-7-17-3-4-18-14/h3-5,7,9-10H,6,8H2,1-2H3.
What are the key properties of N-methyl-N-[(4-methylthiophen-2-yl)methyl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide?
N-methyl-N-[(4-methylthiophen-2-yl)methyl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 344.47 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methylthiophen-2-yl)methyl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 166260992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).