N-(5-methyl-1,3-thiazol-2-yl)-2-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide

C17H14N4O2S4 — CID 4842820

IUPACN-(5-methyl-1,3-thiazol-2-yl)-2-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide
SMILESCc1cnc(NC(=O)CSCc2nc3scc(-c4cccs4)c3c(=O)[nH]2)s1
InChIInChI=1S/C17H14N4O2S4/c1-9-5-18-17(27-9)21-13(22)8-24-7-12-19-15(23)14-10(6-26-16(14)20-12)11-3-2-4-25-11/h2-6H,7-8H2,1H3,(H,18,21,22)(H,19,20,23)
InChIKeyCLMHJYZXFCVPDE-UHFFFAOYSA-N
MW434.59 g/mol
LogP4.35
Rot. Bonds6

About N-(5-methyl-1,3-thiazol-2-yl)-2-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide

N-(5-methyl-1,3-thiazol-2-yl)-2-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide (PubChem CID 4842820) has the molecular formula C17H14N4O2S4 and a molecular weight of 434.59 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-2-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-2-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide
PubChem CID4842820
Molecular FormulaC17H14N4O2S4
Molecular Weight434.59 g/mol
Exact Mass434.00
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-2-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide
SMILESCc1cnc(NC(=O)CSCc2nc3scc(-c4cccs4)c3c(=O)[nH]2)s1
InChIInChI=1S/C17H14N4O2S4/c1-9-5-18-17(27-9)21-13(22)8-24-7-12-19-15(23)14-10(6-26-16(14)20-12)11-3-2-4-25-11/h2-6H,7-8H2,1H3,(H,18,21,22)(H,19,20,23)
InChIKeyCLMHJYZXFCVPDE-UHFFFAOYSA-N
XLogP4.35
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.59
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-(5-methyl-1,3-thiazol-2-yl)-2-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-2-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-2-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide (CID 4842820) is N-(5-methyl-1,3-thiazol-2-yl)-2-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-2-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-2-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide is Cc1cnc(NC(=O)CSCc2nc3scc(-c4cccs4)c3c(=O)[nH]2)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-2-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide?
The InChIKey is CLMHJYZXFCVPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2S4/c1-9-5-18-17(27-9)21-13(22)8-24-7-12-19-15(23)14-10(6-26-16(14)20-12)11-3-2-4-25-11/h2-6H,7-8H2,1H3,(H,18,21,22)(H,19,20,23).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-2-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide?
N-(5-methyl-1,3-thiazol-2-yl)-2-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide has a molecular weight of 434.59 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-2-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 4842820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).