N-(5-methyl-1,2-oxazol-3-yl)-2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylhexanamide

C17H20N4O3S2 — CID 51317607

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylhexanamide
SMILESCCCCC(Sc1nc2ccsc2c(=O)n1C)C(=O)Nc1cc(C)on1
InChIInChI=1S/C17H20N4O3S2/c1-4-5-6-12(15(22)19-13-9-10(2)24-20-13)26-17-18-11-7-8-25-14(11)16(23)21(17)3/h7-9,12H,4-6H2,1-3H3,(H,19,20,22)
InChIKeyAEEVDSUBBSMXIX-UHFFFAOYSA-N
MW392.51 g/mol
LogP3.58
Rot. Bonds7

About N-(5-methyl-1,2-oxazol-3-yl)-2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylhexanamide

N-(5-methyl-1,2-oxazol-3-yl)-2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylhexanamide (PubChem CID 51317607) has the molecular formula C17H20N4O3S2 and a molecular weight of 392.51 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylhexanamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylhexanamide
PubChem CID51317607
Molecular FormulaC17H20N4O3S2
Molecular Weight392.51 g/mol
Exact Mass392.10
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylhexanamide
SMILESCCCCC(Sc1nc2ccsc2c(=O)n1C)C(=O)Nc1cc(C)on1
InChIInChI=1S/C17H20N4O3S2/c1-4-5-6-12(15(22)19-13-9-10(2)24-20-13)26-17-18-11-7-8-25-14(11)16(23)21(17)3/h7-9,12H,4-6H2,1-3H3,(H,19,20,22)
InChIKeyAEEVDSUBBSMXIX-UHFFFAOYSA-N
XLogP3.58
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(2S)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)hexanamide
CID 40792069
2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)hexanamide
CID 17441380
2-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)hexanamide
CID 17446892
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylbutanamide
CID 51263679
N-(5-methyl-1,2-oxazol-3-yl)-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]hexanamide
CID 55515866
(2S)-2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N'-propanoylpropanehydrazide
CID 95318795
2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)hexanamide
CID 55546372
N-(5-methyl-1,2-oxazol-3-yl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)hexanamide
CID 42932563
N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]butanamide
CID 17481577
2-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)hexanamide
CID 55494508
N-(5-methyl-1,2-oxazol-3-yl)-3-(4-oxothieno[3,2-d]pyrimidin-3-yl)propanamide
CID 51317593
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
CID 17485513

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylhexanamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylhexanamide (CID 51317607) is N-(5-methyl-1,2-oxazol-3-yl)-2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylhexanamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylhexanamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylhexanamide is CCCCC(Sc1nc2ccsc2c(=O)n1C)C(=O)Nc1cc(C)on1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylhexanamide?
The InChIKey is AEEVDSUBBSMXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S2/c1-4-5-6-12(15(22)19-13-9-10(2)24-20-13)26-17-18-11-7-8-25-14(11)16(23)21(17)3/h7-9,12H,4-6H2,1-3H3,(H,19,20,22).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylhexanamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylhexanamide has a molecular weight of 392.51 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylhexanamide is sourced from PubChem (CID 51317607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).