(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylbutanamide

C14H14N4O2S2 — CID 41090238

IUPAC(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylbutanamide
SMILESCC[C@H](Sc1ncnc2sccc12)C(=O)Nc1cc(C)on1
InChIInChI=1S/C14H14N4O2S2/c1-3-10(12(19)17-11-6-8(2)20-18-11)22-14-9-4-5-21-13(9)15-7-16-14/h4-7,10H,3H2,1-2H3,(H,17,18,19)/t10-/m0/s1
InChIKeySCLGWZQMBFEBMS-JTQLQIEISA-N
MW334.43 g/mol
LogP3.50
Rot. Bonds5

About (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylbutanamide

(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylbutanamide (PubChem CID 41090238) has the molecular formula C14H14N4O2S2 and a molecular weight of 334.43 g/mol. Its IUPAC name is (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylbutanamide.

Molecular Properties

Compound Name(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylbutanamide
PubChem CID41090238
Molecular FormulaC14H14N4O2S2
Molecular Weight334.43 g/mol
Exact Mass334.06
IUPAC Name(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylbutanamide
SMILESCC[C@H](Sc1ncnc2sccc12)C(=O)Nc1cc(C)on1
InChIInChI=1S/C14H14N4O2S2/c1-3-10(12(19)17-11-6-8(2)20-18-11)22-14-9-4-5-21-13(9)15-7-16-14/h4-7,10H,3H2,1-2H3,(H,17,18,19)/t10-/m0/s1
InChIKeySCLGWZQMBFEBMS-JTQLQIEISA-N
XLogP3.50
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylbutanamide with MolForge

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 2406271
N-(3-methyl-1,2-oxazol-5-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 17450231
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-methylsulfanylbutanamide
CID 94031927
(2S)-2-amino-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 79024953
(2R)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 784165
2-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 51074093
N-(5-methyl-1,2-oxazol-3-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylbutanamide
CID 16958410
(2S)-N-propan-2-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide
CID 40764470
N-(5-methyl-1,2-oxazol-3-yl)-3-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanamide
CID 86923353
N-(5-methyl-1,2-oxazol-3-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylbutanamide
CID 17410604
2-[(6-amino-3,5-dicyano-4-thiophen-3-yl-2-pyridinyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 23942481
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylbutanamide
CID 51263679

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylbutanamide?
The IUPAC name of (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylbutanamide (CID 41090238) is (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylbutanamide.
What is the SMILES notation for (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylbutanamide?
The canonical SMILES for (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylbutanamide is CC[C@H](Sc1ncnc2sccc12)C(=O)Nc1cc(C)on1.
What is the InChIKey of (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylbutanamide?
The InChIKey is SCLGWZQMBFEBMS-JTQLQIEISA-N. The full InChI is InChI=1S/C14H14N4O2S2/c1-3-10(12(19)17-11-6-8(2)20-18-11)22-14-9-4-5-21-13(9)15-7-16-14/h4-7,10H,3H2,1-2H3,(H,17,18,19)/t10-/m0/s1.
What are the key properties of (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylbutanamide?
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylbutanamide has a molecular weight of 334.43 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylbutanamide is sourced from PubChem (CID 41090238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).