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

C12H14N2OS3 — CID 39968583

IUPACN-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(thiophen-3-ylmethyl)acetamide
SMILESCc1csc(SCC(=O)N(C)Cc2ccsc2)n1
InChIInChI=1S/C12H14N2OS3/c1-9-6-17-12(13-9)18-8-11(15)14(2)5-10-3-4-16-7-10/h3-4,6-7H,5,8H2,1-2H3
InChIKeyCQUGJHPGWJYSOE-UHFFFAOYSA-N
MW298.46 g/mol
LogP3.26
Rot. Bonds5

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

N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 39968583) has the molecular formula C12H14N2OS3 and a molecular weight of 298.46 g/mol. Its IUPAC name is N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(thiophen-3-ylmethyl)acetamide
PubChem CID39968583
Molecular FormulaC12H14N2OS3
Molecular Weight298.46 g/mol
Exact Mass298.03
IUPAC NameN-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(thiophen-3-ylmethyl)acetamide
SMILESCc1csc(SCC(=O)N(C)Cc2ccsc2)n1
InChIInChI=1S/C12H14N2OS3/c1-9-6-17-12(13-9)18-8-11(15)14(2)5-10-3-4-16-7-10/h3-4,6-7H,5,8H2,1-2H3
InChIKeyCQUGJHPGWJYSOE-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 40749930
2-(1,3-benzothiazol-2-ylsulfanyl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 9006502
2-(2-aminophenyl)sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 43249154
2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 18158318
[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate
CID 34425687
1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-one
CID 43414039
2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 40669987
2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 8884900
N-methyl-2-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]-N-(thiophen-3-ylmethyl)acetamide
CID 8577907
N-methyl-2-(3-methyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-N-(thiophen-3-ylmethyl)acetamide
CID 8539618
2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 9452605
N-methyl-N-(thiophen-3-ylmethyl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide
CID 17409509

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(thiophen-3-ylmethyl)acetamide?
The IUPAC name of N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(thiophen-3-ylmethyl)acetamide (CID 39968583) is N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(thiophen-3-ylmethyl)acetamide.
What is the SMILES notation for N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(thiophen-3-ylmethyl)acetamide?
The canonical SMILES for N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(thiophen-3-ylmethyl)acetamide is Cc1csc(SCC(=O)N(C)Cc2ccsc2)n1.
What is the InChIKey of N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(thiophen-3-ylmethyl)acetamide?
The InChIKey is CQUGJHPGWJYSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS3/c1-9-6-17-12(13-9)18-8-11(15)14(2)5-10-3-4-16-7-10/h3-4,6-7H,5,8H2,1-2H3.
What are the key properties of N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(thiophen-3-ylmethyl)acetamide?
N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 298.46 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 39968583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).