N,N-diethyl-2-[(3-thiophen-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetamide

C15H16N4OS3 — CID 653996

IUPACN,N-diethyl-2-[(3-thiophen-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetamide
SMILESCCN(CC)C(=O)CSc1ncnc2c(-c3cccs3)nsc12
InChIInChI=1S/C15H16N4OS3/c1-3-19(4-2)11(20)8-22-15-14-13(16-9-17-15)12(18-23-14)10-6-5-7-21-10/h5-7,9H,3-4,8H2,1-2H3
InChIKeyCJWPVUGGJZFAAF-UHFFFAOYSA-N
MW364.52 g/mol
LogP3.78
Rot. Bonds6

About N,N-diethyl-2-[(3-thiophen-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetamide

N,N-diethyl-2-[(3-thiophen-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetamide (PubChem CID 653996) has the molecular formula C15H16N4OS3 and a molecular weight of 364.52 g/mol. Its IUPAC name is N,N-diethyl-2-[(3-thiophen-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(3-thiophen-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetamide
PubChem CID653996
Molecular FormulaC15H16N4OS3
Molecular Weight364.52 g/mol
Exact Mass364.05
IUPAC NameN,N-diethyl-2-[(3-thiophen-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetamide
SMILESCCN(CC)C(=O)CSc1ncnc2c(-c3cccs3)nsc12
InChIInChI=1S/C15H16N4OS3/c1-3-19(4-2)11(20)8-22-15-14-13(16-9-17-15)12(18-23-14)10-6-5-7-21-10/h5-7,9H,3-4,8H2,1-2H3
InChIKeyCJWPVUGGJZFAAF-UHFFFAOYSA-N
XLogP3.78
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.52
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(3-thiophen-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetamide?
The IUPAC name of N,N-diethyl-2-[(3-thiophen-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetamide (CID 653996) is N,N-diethyl-2-[(3-thiophen-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[(3-thiophen-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetamide?
The canonical SMILES for N,N-diethyl-2-[(3-thiophen-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetamide is CCN(CC)C(=O)CSc1ncnc2c(-c3cccs3)nsc12.
What is the InChIKey of N,N-diethyl-2-[(3-thiophen-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetamide?
The InChIKey is CJWPVUGGJZFAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS3/c1-3-19(4-2)11(20)8-22-15-14-13(16-9-17-15)12(18-23-14)10-6-5-7-21-10/h5-7,9H,3-4,8H2,1-2H3.
What are the key properties of N,N-diethyl-2-[(3-thiophen-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetamide?
N,N-diethyl-2-[(3-thiophen-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetamide has a molecular weight of 364.52 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(3-thiophen-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetamide is sourced from PubChem (CID 653996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).