(2S)-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]propanamide

C11H12N2OS3 — CID 95579077

IUPAC(2S)-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
SMILESC[C@H](SCc1csc(-c2cccs2)n1)C(N)=O
InChIInChI=1S/C11H12N2OS3/c1-7(10(12)14)16-5-8-6-17-11(13-8)9-3-2-4-15-9/h2-4,6-7H,5H2,1H3,(H2,12,14)/t7-/m0/s1
InChIKeyWGNQZHPMNFDSCY-ZETCQYMHSA-N
MW284.43 g/mol
LogP2.98
Rot. Bonds5

About (2S)-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]propanamide

(2S)-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]propanamide (PubChem CID 95579077) has the molecular formula C11H12N2OS3 and a molecular weight of 284.43 g/mol. Its IUPAC name is (2S)-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
PubChem CID95579077
Molecular FormulaC11H12N2OS3
Molecular Weight284.43 g/mol
Exact Mass284.01
IUPAC Name(2S)-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
SMILESC[C@H](SCc1csc(-c2cccs2)n1)C(N)=O
InChIInChI=1S/C11H12N2OS3/c1-7(10(12)14)16-5-8-6-17-11(13-8)9-3-2-4-15-9/h2-4,6-7H,5H2,1H3,(H2,12,14)/t7-/m0/s1
InChIKeyWGNQZHPMNFDSCY-ZETCQYMHSA-N
XLogP2.98
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-cyclopentyl-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
CID 95579076
2-methyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanoic acid
CID 116889272
2-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 43170823
N-[(2R)-2-hydroxypropyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 83032506
2-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]propanoic acid
CID 43241284
N-(4-hydroxybutan-2-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 81048947
N-(5-methylhexan-2-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 18197973
N-methyl-2-methylsulfanyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 70728476
2-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]propanoic acid
CID 43237495
2-methyl-4-(2-thiophen-2-yl-1,3-thiazol-4-yl)butan-2-amine
CID 116888514
[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 46818167
N-(2-amino-2-oxoethoxy)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 112551146

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]propanamide?
The IUPAC name of (2S)-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]propanamide (CID 95579077) is (2S)-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]propanamide.
What is the SMILES notation for (2S)-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]propanamide?
The canonical SMILES for (2S)-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]propanamide is C[C@H](SCc1csc(-c2cccs2)n1)C(N)=O.
What is the InChIKey of (2S)-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]propanamide?
The InChIKey is WGNQZHPMNFDSCY-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H12N2OS3/c1-7(10(12)14)16-5-8-6-17-11(13-8)9-3-2-4-15-9/h2-4,6-7H,5H2,1H3,(H2,12,14)/t7-/m0/s1.
What are the key properties of (2S)-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]propanamide?
(2S)-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]propanamide has a molecular weight of 284.43 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]propanamide is sourced from PubChem (CID 95579077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).