4-[5-chloro-2-(4-methylsulfonylpiperazin-1-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine

C14H19ClN6O3S2 — CID 86630079

IUPAC4-[5-chloro-2-(4-methylsulfonylpiperazin-1-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine
SMILESCS(=O)(=O)N1CCN(c2nc3nc(Cl)nc(N4CCOCC4)c3s2)CC1
InChIInChI=1S/C14H19ClN6O3S2/c1-26(22,23)21-4-2-20(3-5-21)14-17-11-10(25-14)12(18-13(15)16-11)19-6-8-24-9-7-19/h2-9H2,1H3
InChIKeyJJYUIDPQOSYUTH-UHFFFAOYSA-N
MW418.93 g/mol
LogP0.66
Rot. Bonds3

About 4-[5-chloro-2-(4-methylsulfonylpiperazin-1-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine

4-[5-chloro-2-(4-methylsulfonylpiperazin-1-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine (PubChem CID 86630079) has the molecular formula C14H19ClN6O3S2 and a molecular weight of 418.93 g/mol. Its IUPAC name is 4-[5-chloro-2-(4-methylsulfonylpiperazin-1-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Name4-[5-chloro-2-(4-methylsulfonylpiperazin-1-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine
PubChem CID86630079
Molecular FormulaC14H19ClN6O3S2
Molecular Weight418.93 g/mol
Exact Mass418.06
IUPAC Name4-[5-chloro-2-(4-methylsulfonylpiperazin-1-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine
SMILESCS(=O)(=O)N1CCN(c2nc3nc(Cl)nc(N4CCOCC4)c3s2)CC1
InChIInChI=1S/C14H19ClN6O3S2/c1-26(22,23)21-4-2-20(3-5-21)14-17-11-10(25-14)12(18-13(15)16-11)19-6-8-24-9-7-19/h2-9H2,1H3
InChIKeyJJYUIDPQOSYUTH-UHFFFAOYSA-N
XLogP0.66
TPSA91.76 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.93
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

4-[2-chloro-6-(4-methylsulfonylpiperazin-1-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 169032599
4-[2-chloro-6-[[4-(methylsulfonylmethylsulfonyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 87209439
4-(5-methyl-2-morpholin-4-yl-1,3-thiazol-4-yl)morpholine
CID 59034806
4-[2-methyl-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 59582499
1-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)ethyl methanesulfonate
CID 86618430
4-[5-chloro-2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine
CID 58234953
2-chloro-4-(4-methylsulfonylpiperazin-1-yl)quinazoline
CID 62993464
2-[1-[(5-chloro-7-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)methyl]piperidin-4-yl]propan-2-ol
CID 59605357
4-[2-chloro-6-[(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 86619258
4-(2-chloro-7-methylsulfonylpyrrolo[2,3-h]quinazolin-4-yl)morpholine
CID 86634154
[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]hydrazine
CID 66553869
4-chloro-10,10-dimethyl-6-morpholin-4-yl-11-oxa-8-thia-3,5-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene
CID 70676607

Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-2-(4-methylsulfonylpiperazin-1-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine?
The IUPAC name of 4-[5-chloro-2-(4-methylsulfonylpiperazin-1-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine (CID 86630079) is 4-[5-chloro-2-(4-methylsulfonylpiperazin-1-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine.
What is the SMILES notation for 4-[5-chloro-2-(4-methylsulfonylpiperazin-1-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine?
The canonical SMILES for 4-[5-chloro-2-(4-methylsulfonylpiperazin-1-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine is CS(=O)(=O)N1CCN(c2nc3nc(Cl)nc(N4CCOCC4)c3s2)CC1.
What is the InChIKey of 4-[5-chloro-2-(4-methylsulfonylpiperazin-1-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine?
The InChIKey is JJYUIDPQOSYUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN6O3S2/c1-26(22,23)21-4-2-20(3-5-21)14-17-11-10(25-14)12(18-13(15)16-11)19-6-8-24-9-7-19/h2-9H2,1H3.
What are the key properties of 4-[5-chloro-2-(4-methylsulfonylpiperazin-1-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine?
4-[5-chloro-2-(4-methylsulfonylpiperazin-1-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine has a molecular weight of 418.93 g/mol, XLogP of 0.66, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-2-(4-methylsulfonylpiperazin-1-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 86630079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).