N-(furan-2-ylmethyl)-2-[(2-thiomorpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetamide

C16H17N5O2S3 — CID 53073729

IUPACN-(furan-2-ylmethyl)-2-[(2-thiomorpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetamide
SMILESO=C(CSc1ncnc2nc(N3CCSCC3)sc12)NCc1ccco1
InChIInChI=1S/C16H17N5O2S3/c22-12(17-8-11-2-1-5-23-11)9-25-15-13-14(18-10-19-15)20-16(26-13)21-3-6-24-7-4-21/h1-2,5,10H,3-4,6-9H2,(H,17,22)
InChIKeyUPTXXHKHUDERJK-UHFFFAOYSA-N
MW407.55 g/mol
LogP2.64
Rot. Bonds6

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

N-(furan-2-ylmethyl)-2-[(2-thiomorpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetamide (PubChem CID 53073729) has the molecular formula C16H17N5O2S3 and a molecular weight of 407.55 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[(2-thiomorpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[(2-thiomorpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetamide
PubChem CID53073729
Molecular FormulaC16H17N5O2S3
Molecular Weight407.55 g/mol
Exact Mass407.05
IUPAC NameN-(furan-2-ylmethyl)-2-[(2-thiomorpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetamide
SMILESO=C(CSc1ncnc2nc(N3CCSCC3)sc12)NCc1ccco1
InChIInChI=1S/C16H17N5O2S3/c22-12(17-8-11-2-1-5-23-11)9-25-15-13-14(18-10-19-15)20-16(26-13)21-3-6-24-7-4-21/h1-2,5,10H,3-4,6-9H2,(H,17,22)
InChIKeyUPTXXHKHUDERJK-UHFFFAOYSA-N
XLogP2.64
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.55
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-(furan-2-ylmethyl)-2-[(2-thiomorpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[(2-thiomorpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[(2-thiomorpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetamide (CID 53073729) is N-(furan-2-ylmethyl)-2-[(2-thiomorpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[(2-thiomorpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[(2-thiomorpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetamide is O=C(CSc1ncnc2nc(N3CCSCC3)sc12)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[(2-thiomorpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetamide?
The InChIKey is UPTXXHKHUDERJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S3/c22-12(17-8-11-2-1-5-23-11)9-25-15-13-14(18-10-19-15)20-16(26-13)21-3-6-24-7-4-21/h1-2,5,10H,3-4,6-9H2,(H,17,22).
What are the key properties of N-(furan-2-ylmethyl)-2-[(2-thiomorpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetamide?
N-(furan-2-ylmethyl)-2-[(2-thiomorpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetamide has a molecular weight of 407.55 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[(2-thiomorpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetamide is sourced from PubChem (CID 53073729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).