(3R)-4-[5-(1H-indol-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-methylmorpholine

C18H17N5OS — CID 167270367

IUPAC(3R)-4-[5-(1H-indol-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1c1nc(-c2cccc3[nH]ccc23)nc2ncsc12
InChIInChI=1S/C18H17N5OS/c1-11-9-24-8-7-23(11)18-15-17(20-10-25-15)21-16(22-18)13-3-2-4-14-12(13)5-6-19-14/h2-6,10-11,19H,7-9H2,1H3/t11-/m1/s1
InChIKeyFRKNFFVMJACQJR-LLVKDONJSA-N
MW351.44 g/mol
LogP3.46
Rot. Bonds2

About (3R)-4-[5-(1H-indol-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-methylmorpholine

(3R)-4-[5-(1H-indol-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-methylmorpholine (PubChem CID 167270367) has the molecular formula C18H17N5OS and a molecular weight of 351.44 g/mol. Its IUPAC name is (3R)-4-[5-(1H-indol-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[5-(1H-indol-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-methylmorpholine
PubChem CID167270367
Molecular FormulaC18H17N5OS
Molecular Weight351.44 g/mol
Exact Mass351.12
IUPAC Name(3R)-4-[5-(1H-indol-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1c1nc(-c2cccc3[nH]ccc23)nc2ncsc12
InChIInChI=1S/C18H17N5OS/c1-11-9-24-8-7-23(11)18-15-17(20-10-25-15)21-16(22-18)13-3-2-4-14-12(13)5-6-19-14/h2-6,10-11,19H,7-9H2,1H3/t11-/m1/s1
InChIKeyFRKNFFVMJACQJR-LLVKDONJSA-N
XLogP3.46
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-3-methylmorpholine
CID 164581389
(3R)-4-[6-(1H-indol-4-yl)-1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl]-3-methylmorpholine
CID 167269705
(3R)-4-[6-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine
CID 139406154
(3R)-4-[6-(2-fluoro-3-pyridinyl)-2-(1H-indol-4-yl)pyrido[3,2-d]pyrimidin-4-yl]-3-methylmorpholine
CID 175965732
(3R)-4-[2-(1H-indol-4-yl)-7,7-dimethyl-6-methylsulfonyl-5H-pyrrolo[3,4-d]pyrimidin-4-yl]-3-methylmorpholine
CID 170343302
(3R)-4-[2-(1H-indol-4-yl)-6-(3-methylimidazol-4-yl)pyrido[3,2-d]pyrimidin-4-yl]-3-methylmorpholine
CID 175965702
(3R)-4-[6-(1H-indol-4-yl)-1-(1-methylsulfonylethyl)pyrazolo[5,4-d]pyrimidin-4-yl]-3-methylmorpholine
CID 167269527
[2-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane
CID 137417929
(3R)-4-[2-(1H-indol-4-yl)-7-piperidin-3-ylquinazolin-4-yl]-3-methylmorpholine
CID 167270193
4-[5-(1H-indazol-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine
CID 46204597
4-[6-(1,4-dimethylpyrazol-5-yl)-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine
CID 139406033
imino-[4-[2-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]oxan-4-yl]-methyl-oxo-λ6-sulfane
CID 54762020

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[5-(1H-indol-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[5-(1H-indol-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-methylmorpholine (CID 167270367) is (3R)-4-[5-(1H-indol-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[5-(1H-indol-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[5-(1H-indol-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-methylmorpholine is C[C@@H]1COCCN1c1nc(-c2cccc3[nH]ccc23)nc2ncsc12.
What is the InChIKey of (3R)-4-[5-(1H-indol-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-methylmorpholine?
The InChIKey is FRKNFFVMJACQJR-LLVKDONJSA-N. The full InChI is InChI=1S/C18H17N5OS/c1-11-9-24-8-7-23(11)18-15-17(20-10-25-15)21-16(22-18)13-3-2-4-14-12(13)5-6-19-14/h2-6,10-11,19H,7-9H2,1H3/t11-/m1/s1.
What are the key properties of (3R)-4-[5-(1H-indol-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-methylmorpholine?
(3R)-4-[5-(1H-indol-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-methylmorpholine has a molecular weight of 351.44 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[5-(1H-indol-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-methylmorpholine is sourced from PubChem (CID 167270367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).