N-[3-(5-chloro-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)phenyl]acetamide

C17H16ClN5O2S — CID 86630074

IUPACN-[3-(5-chloro-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2nc3c(N4CCOCC4)nc(Cl)nc3s2)c1
InChIInChI=1S/C17H16ClN5O2S/c1-10(24)19-12-4-2-3-11(9-12)15-20-13-14(23-5-7-25-8-6-23)21-17(18)22-16(13)26-15/h2-4,9H,5-8H2,1H3,(H,19,24)
InChIKeyCNAZODRTHDJEFB-UHFFFAOYSA-N
MW389.87 g/mol
LogP3.20
Rot. Bonds3

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

N-[3-(5-chloro-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)phenyl]acetamide (PubChem CID 86630074) has the molecular formula C17H16ClN5O2S and a molecular weight of 389.87 g/mol. Its IUPAC name is N-[3-(5-chloro-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(5-chloro-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)phenyl]acetamide
PubChem CID86630074
Molecular FormulaC17H16ClN5O2S
Molecular Weight389.87 g/mol
Exact Mass389.07
IUPAC NameN-[3-(5-chloro-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2nc3c(N4CCOCC4)nc(Cl)nc3s2)c1
InChIInChI=1S/C17H16ClN5O2S/c1-10(24)19-12-4-2-3-11(9-12)15-20-13-14(23-5-7-25-8-6-23)21-17(18)22-16(13)26-15/h2-4,9H,5-8H2,1H3,(H,19,24)
InChIKeyCNAZODRTHDJEFB-UHFFFAOYSA-N
XLogP3.20
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.87
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(5-chloro-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)phenyl]acetamide?
The IUPAC name of N-[3-(5-chloro-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)phenyl]acetamide (CID 86630074) is N-[3-(5-chloro-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)phenyl]acetamide.
What is the SMILES notation for N-[3-(5-chloro-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)phenyl]acetamide?
The canonical SMILES for N-[3-(5-chloro-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)phenyl]acetamide is CC(=O)Nc1cccc(-c2nc3c(N4CCOCC4)nc(Cl)nc3s2)c1.
What is the InChIKey of N-[3-(5-chloro-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)phenyl]acetamide?
The InChIKey is CNAZODRTHDJEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O2S/c1-10(24)19-12-4-2-3-11(9-12)15-20-13-14(23-5-7-25-8-6-23)21-17(18)22-16(13)26-15/h2-4,9H,5-8H2,1H3,(H,19,24).
What are the key properties of N-[3-(5-chloro-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)phenyl]acetamide?
N-[3-(5-chloro-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)phenyl]acetamide has a molecular weight of 389.87 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-chloro-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)phenyl]acetamide is sourced from PubChem (CID 86630074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).