2-[(S)-(2-propyl-1,3-thiazol-4-yl)methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide

C14H18N2O2S3 — CID 95321246

IUPAC2-[(S)-(2-propyl-1,3-thiazol-4-yl)methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCCc1nc(C[S@](=O)CC(=O)NCc2cccs2)cs1
InChIInChI=1S/C14H18N2O2S3/c1-2-4-14-16-11(8-20-14)9-21(18)10-13(17)15-7-12-5-3-6-19-12/h3,5-6,8H,2,4,7,9-10H2,1H3,(H,15,17)/t21-/m0/s1
InChIKeyVUCYKBGCUONHRY-NRFANRHFSA-N
MW342.51 g/mol
LogP2.72
Rot. Bonds8

About 2-[(S)-(2-propyl-1,3-thiazol-4-yl)methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide

2-[(S)-(2-propyl-1,3-thiazol-4-yl)methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 95321246) has the molecular formula C14H18N2O2S3 and a molecular weight of 342.51 g/mol. Its IUPAC name is 2-[(S)-(2-propyl-1,3-thiazol-4-yl)methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(S)-(2-propyl-1,3-thiazol-4-yl)methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID95321246
Molecular FormulaC14H18N2O2S3
Molecular Weight342.51 g/mol
Exact Mass342.05
IUPAC Name2-[(S)-(2-propyl-1,3-thiazol-4-yl)methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCCc1nc(C[S@](=O)CC(=O)NCc2cccs2)cs1
InChIInChI=1S/C14H18N2O2S3/c1-2-4-14-16-11(8-20-14)9-21(18)10-13(17)15-7-12-5-3-6-19-12/h3,5-6,8H,2,4,7,9-10H2,1H3,(H,15,17)/t21-/m0/s1
InChIKeyVUCYKBGCUONHRY-NRFANRHFSA-N
XLogP2.72
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(S)-(2-ethyl-1,3-thiazol-4-yl)methylsulfinyl]-N-(thiophen-2-ylmethyl)propanamide
CID 96548280
2-[(R)-(5-bromothiophen-3-yl)methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide
CID 95064233
2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide
CID 20860510
2-(ethylamino)-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 43810411
1-ethyl-2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111832772
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-thiophen-2-ylacetamide
CID 110717409
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
3-[(S)-(2-ethyl-1,3-thiazol-4-yl)methylsulfinyl]-N-phenylpropanamide
CID 95354034
2-[2-(2-thiophen-2-ylethyl)-1,3-thiazol-4-yl]acetic acid
CID 82088222
methyl N-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]carbamate
CID 16883763
2-amino-3-(2-propyl-1,3-thiazol-4-yl)propanoic acid
CID 116890720
2-fluoro-N-(thiophen-2-ylmethyl)acetamide
CID 150063829

Frequently Asked Questions

What is the IUPAC name of 2-[(S)-(2-propyl-1,3-thiazol-4-yl)methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[(S)-(2-propyl-1,3-thiazol-4-yl)methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide (CID 95321246) is 2-[(S)-(2-propyl-1,3-thiazol-4-yl)methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(S)-(2-propyl-1,3-thiazol-4-yl)methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(S)-(2-propyl-1,3-thiazol-4-yl)methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide is CCCc1nc(C[S@](=O)CC(=O)NCc2cccs2)cs1.
What is the InChIKey of 2-[(S)-(2-propyl-1,3-thiazol-4-yl)methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is VUCYKBGCUONHRY-NRFANRHFSA-N. The full InChI is InChI=1S/C14H18N2O2S3/c1-2-4-14-16-11(8-20-14)9-21(18)10-13(17)15-7-12-5-3-6-19-12/h3,5-6,8H,2,4,7,9-10H2,1H3,(H,15,17)/t21-/m0/s1.
What are the key properties of 2-[(S)-(2-propyl-1,3-thiazol-4-yl)methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide?
2-[(S)-(2-propyl-1,3-thiazol-4-yl)methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 342.51 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-(2-propyl-1,3-thiazol-4-yl)methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 95321246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).