2-(2-cyclopropyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C17H18N4O2S2 — CID 1466867

IUPAC2-(2-cyclopropyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSc2nc(C3CC3)nc3sc(C)c(C)c23)no1
InChIInChI=1S/C17H18N4O2S2/c1-8-6-12(21-23-8)18-13(22)7-24-16-14-9(2)10(3)25-17(14)20-15(19-16)11-4-5-11/h6,11H,4-5,7H2,1-3H3,(H,18,21,22)
InChIKeyBBCXLCYIGWUMGA-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.21
Rot. Bonds5

About 2-(2-cyclopropyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-(2-cyclopropyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 1466867) has the molecular formula C17H18N4O2S2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-(2-cyclopropyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-cyclopropyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID1466867
Molecular FormulaC17H18N4O2S2
Molecular Weight374.49 g/mol
Exact Mass374.09
IUPAC Name2-(2-cyclopropyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSc2nc(C3CC3)nc3sc(C)c(C)c23)no1
InChIInChI=1S/C17H18N4O2S2/c1-8-6-12(21-23-8)18-13(22)7-24-16-14-9(2)10(3)25-17(14)20-15(19-16)11-4-5-11/h6,11H,4-5,7H2,1-3H3,(H,18,21,22)
InChIKeyBBCXLCYIGWUMGA-UHFFFAOYSA-N
XLogP4.21
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Notum pectinacetylesterase-1
CID 859554
N-(5-Methyl-isoxazol-3-yl)-2-(2,5,6-trimethyl-thieno[2,3-d]pyrimidin-4-ylsulfanyl)-acetamide
CID 653561
2-(8,9-Dimethyl-thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 653615
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
CID 2567379
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
2-(2-Isopropyl-7-methyl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 3200141
2,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(N-methyl-4-propan-2-ylanilino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 23734246
2-(2-Ethyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 645193
2-[(2-cyclopropyl-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 650327
2-(2-Isopropyl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 655499
2-(2-Isopropyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 655538
2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2080588

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-(2-cyclopropyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 1466867) is 2-(2-cyclopropyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-(2-cyclopropyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-(2-cyclopropyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CSc2nc(C3CC3)nc3sc(C)c(C)c23)no1.
What is the InChIKey of 2-(2-cyclopropyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is BBCXLCYIGWUMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S2/c1-8-6-12(21-23-8)18-13(22)7-24-16-14-9(2)10(3)25-17(14)20-15(19-16)11-4-5-11/h6,11H,4-5,7H2,1-3H3,(H,18,21,22).
What are the key properties of 2-(2-cyclopropyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-(2-cyclopropyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 374.49 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 1466867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).