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

C12H14N2OS3 — CID 70728476

IUPACN-methyl-2-methylsulfanyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide
SMILESCSCC(=O)N(C)Cc1csc(-c2cccs2)n1
InChIInChI=1S/C12H14N2OS3/c1-14(11(15)8-16-2)6-9-7-18-12(13-9)10-4-3-5-17-10/h3-5,7H,6,8H2,1-2H3
InChIKeyCNPWZHGFNUISIR-UHFFFAOYSA-N
MW298.46 g/mol
LogP3.19
Rot. Bonds5

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

N-methyl-2-methylsulfanyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide (PubChem CID 70728476) has the molecular formula C12H14N2OS3 and a molecular weight of 298.46 g/mol. Its IUPAC name is N-methyl-2-methylsulfanyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-methylsulfanyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide
PubChem CID70728476
Molecular FormulaC12H14N2OS3
Molecular Weight298.46 g/mol
Exact Mass298.03
IUPAC NameN-methyl-2-methylsulfanyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide
SMILESCSCC(=O)N(C)Cc1csc(-c2cccs2)n1
InChIInChI=1S/C12H14N2OS3/c1-14(11(15)8-16-2)6-9-7-18-12(13-9)10-4-3-5-17-10/h3-5,7H,6,8H2,1-2H3
InChIKeyCNPWZHGFNUISIR-UHFFFAOYSA-N
XLogP3.19
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-4-sulfamoyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]butanamide
CID 56910011
N,4-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,2,5-oxadiazole-3-carboxamide
CID 70754339
N,5-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiophene-3-carboxamide
CID 70730335
N,1-dimethyl-6-oxo-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 70782274
N-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 70750792
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 63929532
N-[(4-cyanophenyl)methyl]-N-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 39860098
2-(ethylamino)-N,4-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-5-carboxamide
CID 56917368
N-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 70774862
2-methoxy-N,4-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-5-carboxamide
CID 70744145
(2R)-N-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxamide
CID 96575284
N-methyl-3-(1-methylpyrrol-2-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 70709279

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methylsulfanyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide?
The IUPAC name of N-methyl-2-methylsulfanyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide (CID 70728476) is N-methyl-2-methylsulfanyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide.
What is the SMILES notation for N-methyl-2-methylsulfanyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide?
The canonical SMILES for N-methyl-2-methylsulfanyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide is CSCC(=O)N(C)Cc1csc(-c2cccs2)n1.
What is the InChIKey of N-methyl-2-methylsulfanyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide?
The InChIKey is CNPWZHGFNUISIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS3/c1-14(11(15)8-16-2)6-9-7-18-12(13-9)10-4-3-5-17-10/h3-5,7H,6,8H2,1-2H3.
What are the key properties of N-methyl-2-methylsulfanyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide?
N-methyl-2-methylsulfanyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide has a molecular weight of 298.46 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylsulfanyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide is sourced from PubChem (CID 70728476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).