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

C17H18N4O2S2 — CID 2612492

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide
SMILESCc1nc(SCC(=O)Nc2cc(C)on2)c2c3c(sc2n1)CCCC3
InChIInChI=1S/C17H18N4O2S2/c1-9-7-13(21-23-9)20-14(22)8-24-16-15-11-5-3-4-6-12(11)25-17(15)19-10(2)18-16/h7H,3-6,8H2,1-2H3,(H,20,21,22)
InChIKeyYDIXFXKLOIDVCZ-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.91
Rot. Bonds4

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

N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide (PubChem CID 2612492) has the molecular formula C17H18N4O2S2 and a molecular weight of 374.49 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide
PubChem CID2612492
Molecular FormulaC17H18N4O2S2
Molecular Weight374.49 g/mol
Exact Mass374.09
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide
SMILESCc1nc(SCC(=O)Nc2cc(C)on2)c2c3c(sc2n1)CCCC3
InChIInChI=1S/C17H18N4O2S2/c1-9-7-13(21-23-9)20-14(22)8-24-16-15-11-5-3-4-6-12(11)25-17(15)19-10(2)18-16/h7H,3-6,8H2,1-2H3,(H,20,21,22)
InChIKeyYDIXFXKLOIDVCZ-UHFFFAOYSA-N
XLogP3.91
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide (CID 2612492) is N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide is Cc1nc(SCC(=O)Nc2cc(C)on2)c2c3c(sc2n1)CCCC3.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide?
The InChIKey is YDIXFXKLOIDVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S2/c1-9-7-13(21-23-9)20-14(22)8-24-16-15-11-5-3-4-6-12(11)25-17(15)19-10(2)18-16/h7H,3-6,8H2,1-2H3,(H,20,21,22).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide has a molecular weight of 374.49 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide is sourced from PubChem (CID 2612492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).