3-methylsulfanyl-N-(2-methyl-1,3-thiazol-4-yl)propanamide

C8H12N2OS2 — CID 130652424

IUPAC3-methylsulfanyl-N-(2-methyl-1,3-thiazol-4-yl)propanamide
SMILESCSCCC(=O)Nc1csc(C)n1
InChIInChI=1S/C8H12N2OS2/c1-6-9-7(5-13-6)10-8(11)3-4-12-2/h5H,3-4H2,1-2H3,(H,10,11)
InChIKeyAXLGOTIGFGXYMO-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.14
Rot. Bonds4

About 3-methylsulfanyl-N-(2-methyl-1,3-thiazol-4-yl)propanamide

3-methylsulfanyl-N-(2-methyl-1,3-thiazol-4-yl)propanamide (PubChem CID 130652424) has the molecular formula C8H12N2OS2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 3-methylsulfanyl-N-(2-methyl-1,3-thiazol-4-yl)propanamide.

Molecular Properties

Compound Name3-methylsulfanyl-N-(2-methyl-1,3-thiazol-4-yl)propanamide
PubChem CID130652424
Molecular FormulaC8H12N2OS2
Molecular Weight216.33 g/mol
Exact Mass216.04
IUPAC Name3-methylsulfanyl-N-(2-methyl-1,3-thiazol-4-yl)propanamide
SMILESCSCCC(=O)Nc1csc(C)n1
InChIInChI=1S/C8H12N2OS2/c1-6-9-7(5-13-6)10-8(11)3-4-12-2/h5H,3-4H2,1-2H3,(H,10,11)
InChIKeyAXLGOTIGFGXYMO-UHFFFAOYSA-N
XLogP2.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-N-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 130736068
3-methylsulfanyl-N-(thiadiazol-4-yl)propanamide
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N-(6-chloro-2-methyl-3-pyridinyl)-3-methylsulfanylpropanamide
CID 107301045
N-(4-chlorophenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
CID 16909032
3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide
CID 78927799
3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide
CID 104619822
N-(3-acetamidophenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
CID 16909116
N-(2-amino-4-chlorophenyl)-3-methylsulfanylpropanamide
CID 61023723
N-(5-ethyl-1H-pyrazol-3-yl)-3-methylsulfanylpropanamide
CID 115593810
N-(4-bromophenyl)-3-methylsulfanylpropanamide
CID 43082407
N-(2-amino-2-oxoethyl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
CID 63904964
3-(2-methyl-1,3-thiazol-4-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 110678667

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-N-(2-methyl-1,3-thiazol-4-yl)propanamide?
The IUPAC name of 3-methylsulfanyl-N-(2-methyl-1,3-thiazol-4-yl)propanamide (CID 130652424) is 3-methylsulfanyl-N-(2-methyl-1,3-thiazol-4-yl)propanamide.
What is the SMILES notation for 3-methylsulfanyl-N-(2-methyl-1,3-thiazol-4-yl)propanamide?
The canonical SMILES for 3-methylsulfanyl-N-(2-methyl-1,3-thiazol-4-yl)propanamide is CSCCC(=O)Nc1csc(C)n1.
What is the InChIKey of 3-methylsulfanyl-N-(2-methyl-1,3-thiazol-4-yl)propanamide?
The InChIKey is AXLGOTIGFGXYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS2/c1-6-9-7(5-13-6)10-8(11)3-4-12-2/h5H,3-4H2,1-2H3,(H,10,11).
What are the key properties of 3-methylsulfanyl-N-(2-methyl-1,3-thiazol-4-yl)propanamide?
3-methylsulfanyl-N-(2-methyl-1,3-thiazol-4-yl)propanamide has a molecular weight of 216.33 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-N-(2-methyl-1,3-thiazol-4-yl)propanamide is sourced from PubChem (CID 130652424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).