N-benzyl-N-ethyl-2-[(2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetamide

C20H23N5O2S2 — CID 95920798

IUPACN-benzyl-N-ethyl-2-[(2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetamide
SMILESCCN(Cc1ccccc1)C(=O)CSc1ncnc2nc(N3CCOCC3)sc12
InChIInChI=1S/C20H23N5O2S2/c1-2-24(12-15-6-4-3-5-7-15)16(26)13-28-19-17-18(21-14-22-19)23-20(29-17)25-8-10-27-11-9-25/h3-7,14H,2,8-13H2,1H3
InChIKeyXRXCMVCEKHGLTO-UHFFFAOYSA-N
MW429.57 g/mol
LogP3.06
Rot. Bonds7

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

N-benzyl-N-ethyl-2-[(2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetamide (PubChem CID 95920798) has the molecular formula C20H23N5O2S2 and a molecular weight of 429.57 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-[(2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-[(2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetamide
PubChem CID95920798
Molecular FormulaC20H23N5O2S2
Molecular Weight429.57 g/mol
Exact Mass429.13
IUPAC NameN-benzyl-N-ethyl-2-[(2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetamide
SMILESCCN(Cc1ccccc1)C(=O)CSc1ncnc2nc(N3CCOCC3)sc12
InChIInChI=1S/C20H23N5O2S2/c1-2-24(12-15-6-4-3-5-7-15)16(26)13-28-19-17-18(21-14-22-19)23-20(29-17)25-8-10-27-11-9-25/h3-7,14H,2,8-13H2,1H3
InChIKeyXRXCMVCEKHGLTO-UHFFFAOYSA-N
XLogP3.06
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetonitrile
CID 95920792
N-benzyl-N-ethyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 18141119
N-benzyl-N-ethyl-2-phenylsulfanylacetamide
CID 1122625
N-benzyl-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-ethylacetamide
CID 16533833
N-benzyl-N-ethyl-2-[(5-methyl-2-pyridinyl)sulfanyl]acetamide
CID 134007805
N'-benzyl-N'-ethyl-N-(2-morpholin-4-ylphenyl)propanediamide
CID 108947398
N-benzyl-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-ethylacetamide
CID 7810165
2-[[2-[benzyl(methyl)amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]-N-(2-ethoxyphenyl)acetamide
CID 52999862
ethyl 4-[[2-[(2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetyl]amino]benzoate
CID 52999568
2-[2-[benzyl(ethyl)amino]-2-oxoethyl]sulfanylbenzoic acid
CID 2361989
N-benzyl-N-ethyl-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanylacetamide
CID 95919409
methyl 2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetate
CID 95920452

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-[(2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetamide?
The IUPAC name of N-benzyl-N-ethyl-2-[(2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetamide (CID 95920798) is N-benzyl-N-ethyl-2-[(2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetamide.
What is the SMILES notation for N-benzyl-N-ethyl-2-[(2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetamide?
The canonical SMILES for N-benzyl-N-ethyl-2-[(2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetamide is CCN(Cc1ccccc1)C(=O)CSc1ncnc2nc(N3CCOCC3)sc12.
What is the InChIKey of N-benzyl-N-ethyl-2-[(2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetamide?
The InChIKey is XRXCMVCEKHGLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2S2/c1-2-24(12-15-6-4-3-5-7-15)16(26)13-28-19-17-18(21-14-22-19)23-20(29-17)25-8-10-27-11-9-25/h3-7,14H,2,8-13H2,1H3.
What are the key properties of N-benzyl-N-ethyl-2-[(2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetamide?
N-benzyl-N-ethyl-2-[(2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetamide has a molecular weight of 429.57 g/mol, XLogP of 3.06, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-[(2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetamide is sourced from PubChem (CID 95920798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).