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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Related Compounds

N-[3-(2-chloro-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)phenyl]acetamide
CID 87669032
(2S)-N-[3-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)phenyl]-2-hydroxypropanamide
CID 86624248
4-[5-chloro-2-(5-methylsulfonyl-3-pyridinyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine
CID 87306656
N-[3-(4-morpholin-4-yl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-6-yl)phenyl]acetamide
CID 59829571
4-(2,5-dichloro-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)morpholine
CID 25255100
4-(5-chloro-2-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)morpholine
CID 58234939
tert-butyl N-[4-[3-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)anilino]-4-oxobutan-2-yl]carbamate
CID 131728570
N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 9456512
N-[2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]morpholine-4-carboxamide
CID 110351972
N-[3-[6-cyano-2-(4-morpholin-4-ylanilino)thieno[3,2-d]pyrimidin-7-yl]phenyl]acetamide
CID 140788087
N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 143803475
N-(3-acetamidophenyl)morpholine-4-carboxamide
CID 3707113

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).