N-tert-butyl-2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide

C17H19N3OS3 — CID 2444212

IUPACN-tert-butyl-2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)NC(C)(C)C)c2c(-c3cccs3)csc2n1
InChIInChI=1S/C17H19N3OS3/c1-10-18-15-14(11(8-23-15)12-6-5-7-22-12)16(19-10)24-9-13(21)20-17(2,3)4/h5-8H,9H2,1-4H3,(H,20,21)
InChIKeyLKUJRCRMJTVDEE-UHFFFAOYSA-N
MW377.56 g/mol
LogP4.74
Rot. Bonds4

About N-tert-butyl-2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide

N-tert-butyl-2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide (PubChem CID 2444212) has the molecular formula C17H19N3OS3 and a molecular weight of 377.56 g/mol. Its IUPAC name is N-tert-butyl-2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
PubChem CID2444212
Molecular FormulaC17H19N3OS3
Molecular Weight377.56 g/mol
Exact Mass377.07
IUPAC NameN-tert-butyl-2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)NC(C)(C)C)c2c(-c3cccs3)csc2n1
InChIInChI=1S/C17H19N3OS3/c1-10-18-15-14(11(8-23-15)12-6-5-7-22-12)16(19-10)24-9-13(21)20-17(2,3)4/h5-8H,9H2,1-4H3,(H,20,21)
InChIKeyLKUJRCRMJTVDEE-UHFFFAOYSA-N
XLogP4.74
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.56
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-Methyl-4-piperidin-1-yl-5-thiophen-2-ylthieno[2,3-d]pyrimidine
CID 2461526
1-(2-Methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 2464730
N-Cyclopropyl-2-(2-ethyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-ylsulfanyl)-acetamide
CID 3218956
N-cyclopentyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide
CID 16316041
4-ethyl-3-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1H-1,2,4-triazol-5-one
CID 2559955
2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 2566746
1-[(2,5-Dithiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpyrrole-2,5-dione
CID 24898056
3-Methyl-1-[[2-(5-methylthiophen-2-yl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]amino]pyrrole-2,5-dione
CID 24898058
3-Methyl-1-[[5-thiophen-2-yl-2-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]pyrrole-2,5-dione
CID 24898265
3-Methyl-1-[(2-phenyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrole-2,5-dione
CID 24898487
3-Methyl-1-[(5-phenyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrole-2,5-dione
CID 24898709
6-Butylsulfinyl-4-phenyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-5-amine
CID 72188260

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The IUPAC name of N-tert-butyl-2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide (CID 2444212) is N-tert-butyl-2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-tert-butyl-2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The canonical SMILES for N-tert-butyl-2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide is Cc1nc(SCC(=O)NC(C)(C)C)c2c(-c3cccs3)csc2n1.
What is the InChIKey of N-tert-butyl-2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The InChIKey is LKUJRCRMJTVDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS3/c1-10-18-15-14(11(8-23-15)12-6-5-7-22-12)16(19-10)24-9-13(21)20-17(2,3)4/h5-8H,9H2,1-4H3,(H,20,21).
What are the key properties of N-tert-butyl-2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
N-tert-butyl-2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide has a molecular weight of 377.56 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide is sourced from PubChem (CID 2444212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).