4-[5-(1H-indazol-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine

C16H14N6OS — CID 46204597

IUPAC4-[5-(1H-indazol-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine
SMILESc1cc(-c2nc(N3CCOCC3)c3scnc3n2)c2cn[nH]c2c1
InChIInChI=1S/C16H14N6OS/c1-2-10(11-8-18-21-12(11)3-1)14-19-15-13(24-9-17-15)16(20-14)22-4-6-23-7-5-22/h1-3,8-9H,4-7H2,(H,18,21)
InChIKeyYRRCKBNBNPXSLU-UHFFFAOYSA-N
MW338.40 g/mol
LogP2.47
Rot. Bonds2

About 4-[5-(1H-indazol-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine

4-[5-(1H-indazol-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine (PubChem CID 46204597) has the molecular formula C16H14N6OS and a molecular weight of 338.40 g/mol. Its IUPAC name is 4-[5-(1H-indazol-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Name4-[5-(1H-indazol-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine
PubChem CID46204597
Molecular FormulaC16H14N6OS
Molecular Weight338.40 g/mol
Exact Mass338.09
IUPAC Name4-[5-(1H-indazol-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine
SMILESc1cc(-c2nc(N3CCOCC3)c3scnc3n2)c2cn[nH]c2c1
InChIInChI=1S/C16H14N6OS/c1-2-10(11-8-18-21-12(11)3-1)14-19-15-13(24-9-17-15)16(20-14)22-4-6-23-7-5-22/h1-3,8-9H,4-7H2,(H,18,21)
InChIKeyYRRCKBNBNPXSLU-UHFFFAOYSA-N
XLogP2.47
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[6-chloro-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 59592910
4-[6-ethenyl-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 70310200
2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carbonitrile
CID 59592848
2-(1H-indazol-4-yl)-4-morpholin-4-yl-N-phenylthieno[3,2-d]pyrimidin-6-amine
CID 59592927
3-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]aniline
CID 59592979
N-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]methanesulfonamide
CID 59592859
3-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N,N-dimethylpropan-1-amine
CID 130267909
4-[5-(6-morpholin-4-yl-3-pyridinyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine
CID 58508193
4-[(E)-3-hydroxyprop-1-enyl]-2-(1H-indazol-4-yl)-6-morpholin-4-ylpyrimidin-5-ol
CID 137228905
4-[2-(1H-indazol-4-yl)-6-(3-methoxyphenyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 59593066
4-[2-(1H-indazol-4-yl)-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 11692075
4-[6-(1,5-dihydropyrazol-2-ylmethyl)-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 130241331

Frequently Asked Questions

What is the IUPAC name of 4-[5-(1H-indazol-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine?
The IUPAC name of 4-[5-(1H-indazol-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine (CID 46204597) is 4-[5-(1H-indazol-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine.
What is the SMILES notation for 4-[5-(1H-indazol-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine?
The canonical SMILES for 4-[5-(1H-indazol-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine is c1cc(-c2nc(N3CCOCC3)c3scnc3n2)c2cn[nH]c2c1.
What is the InChIKey of 4-[5-(1H-indazol-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine?
The InChIKey is YRRCKBNBNPXSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6OS/c1-2-10(11-8-18-21-12(11)3-1)14-19-15-13(24-9-17-15)16(20-14)22-4-6-23-7-5-22/h1-3,8-9H,4-7H2,(H,18,21).
What are the key properties of 4-[5-(1H-indazol-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine?
4-[5-(1H-indazol-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine has a molecular weight of 338.40 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1H-indazol-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 46204597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).