3-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanylmethyl]-N,N-dimethylbenzamide

C16H19N3O2S2 — CID 51091018

IUPAC3-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanylmethyl]-N,N-dimethylbenzamide
SMILESCc1nc(SCc2cccc(C(=O)N(C)C)c2)sc1CC(N)=O
InChIInChI=1S/C16H19N3O2S2/c1-10-13(8-14(17)20)23-16(18-10)22-9-11-5-4-6-12(7-11)15(21)19(2)3/h4-7H,8-9H2,1-3H3,(H2,17,20)
InChIKeyYYNWVZBUUILSTA-UHFFFAOYSA-N
MW349.48 g/mol
LogP2.47
Rot. Bonds6

About 3-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanylmethyl]-N,N-dimethylbenzamide

3-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanylmethyl]-N,N-dimethylbenzamide (PubChem CID 51091018) has the molecular formula C16H19N3O2S2 and a molecular weight of 349.48 g/mol. Its IUPAC name is 3-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanylmethyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanylmethyl]-N,N-dimethylbenzamide
PubChem CID51091018
Molecular FormulaC16H19N3O2S2
Molecular Weight349.48 g/mol
Exact Mass349.09
IUPAC Name3-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanylmethyl]-N,N-dimethylbenzamide
SMILESCc1nc(SCc2cccc(C(=O)N(C)C)c2)sc1CC(N)=O
InChIInChI=1S/C16H19N3O2S2/c1-10-13(8-14(17)20)23-16(18-10)22-9-11-5-4-6-12(7-11)15(21)19(2)3/h4-7H,8-9H2,1-3H3,(H2,17,20)
InChIKeyYYNWVZBUUILSTA-UHFFFAOYSA-N
XLogP2.47
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanylmethyl]-N,N-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-3-[[5-[(4-propan-2-ylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzamide
CID 55989183
2-[2-[(2-fluorophenyl)methylsulfanyl]-4-methyl-1,3-thiazol-5-yl]acetamide
CID 46683590
3-(2-amino-2-sulfanylideneethyl)-N,N-dimethylbenzamide
CID 82179287
2-[2-[(1-cyanoindolizin-2-yl)methylsulfanyl]-4-methyl-1,3-thiazol-5-yl]acetamide
CID 47017760
N,N-dimethyl-3-[(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylmethyl]benzamide
CID 55988670
N,N-dimethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide
CID 75505415
3-[[5-[acetyl(cyclopropyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzamide
CID 55631405
3-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-N,N-dimethylbenzamide
CID 47068537
2-[2-[(2,6-difluorophenyl)methylsulfanyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 114929988
2-[2-[1-(4-chlorophenyl)ethylsulfanyl]-4-methyl-1,3-thiazol-5-yl]acetamide
CID 47068561
2-[2-(9H-fluoren-9-ylsulfanyl)-4-methyl-1,3-thiazol-5-yl]acetamide
CID 24589896
3-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzamide
CID 47460861

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanylmethyl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanylmethyl]-N,N-dimethylbenzamide (CID 51091018) is 3-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanylmethyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanylmethyl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanylmethyl]-N,N-dimethylbenzamide is Cc1nc(SCc2cccc(C(=O)N(C)C)c2)sc1CC(N)=O.
What is the InChIKey of 3-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanylmethyl]-N,N-dimethylbenzamide?
The InChIKey is YYNWVZBUUILSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S2/c1-10-13(8-14(17)20)23-16(18-10)22-9-11-5-4-6-12(7-11)15(21)19(2)3/h4-7H,8-9H2,1-3H3,(H2,17,20).
What are the key properties of 3-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanylmethyl]-N,N-dimethylbenzamide?
3-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanylmethyl]-N,N-dimethylbenzamide has a molecular weight of 349.48 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanylmethyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 51091018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).