N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide

C17H18N4O3S2 — CID 2577595

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
SMILESCc1cc(NC(=O)CSc2nc3sc4c(c3c(=O)n2C)CCCC4)no1
InChIInChI=1S/C17H18N4O3S2/c1-9-7-12(20-24-9)18-13(22)8-25-17-19-15-14(16(23)21(17)2)10-5-3-4-6-11(10)26-15/h7H,3-6,8H2,1-2H3,(H,18,20,22)
InChIKeyUUMBQVLEWSWSOO-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.90
Rot. Bonds4

About N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 2577595) has the molecular formula C17H18N4O3S2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID2577595
Molecular FormulaC17H18N4O3S2
Molecular Weight390.49 g/mol
Exact Mass390.08
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
SMILESCc1cc(NC(=O)CSc2nc3sc4c(c3c(=O)n2C)CCCC4)no1
InChIInChI=1S/C17H18N4O3S2/c1-9-7-12(20-24-9)18-13(22)8-25-17-19-15-14(16(23)21(17)2)10-5-3-4-6-11(10)26-15/h7H,3-6,8H2,1-2H3,(H,18,20,22)
InChIKeyUUMBQVLEWSWSOO-UHFFFAOYSA-N
XLogP2.90
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide (CID 2577595) is N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide is Cc1cc(NC(=O)CSc2nc3sc4c(c3c(=O)n2C)CCCC4)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is UUMBQVLEWSWSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S2/c1-9-7-12(20-24-9)18-13(22)8-25-17-19-15-14(16(23)21(17)2)10-5-3-4-6-11(10)26-15/h7H,3-6,8H2,1-2H3,(H,18,20,22).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 390.49 g/mol, XLogP of 2.90, 4 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-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 2577595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).