2-[1-[(5-chloro-7-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)methyl]piperidin-4-yl]propan-2-ol

C18H26ClN5O2S — CID 59605357

IUPAC2-[1-[(5-chloro-7-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)methyl]piperidin-4-yl]propan-2-ol
SMILESCC(C)(O)C1CCN(Cc2nc3nc(Cl)nc(N4CCOCC4)c3s2)CC1
InChIInChI=1S/C18H26ClN5O2S/c1-18(2,25)12-3-5-23(6-4-12)11-13-20-15-14(27-13)16(22-17(19)21-15)24-7-9-26-10-8-24/h12,25H,3-11H2,1-2H3
InChIKeyCHMDTVJJEGWZSG-UHFFFAOYSA-N
MW411.96 g/mol
LogP2.56
Rot. Bonds4

About 2-[1-[(5-chloro-7-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)methyl]piperidin-4-yl]propan-2-ol

2-[1-[(5-chloro-7-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)methyl]piperidin-4-yl]propan-2-ol (PubChem CID 59605357) has the molecular formula C18H26ClN5O2S and a molecular weight of 411.96 g/mol. Its IUPAC name is 2-[1-[(5-chloro-7-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)methyl]piperidin-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[(5-chloro-7-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)methyl]piperidin-4-yl]propan-2-ol
PubChem CID59605357
Molecular FormulaC18H26ClN5O2S
Molecular Weight411.96 g/mol
Exact Mass411.15
IUPAC Name2-[1-[(5-chloro-7-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)methyl]piperidin-4-yl]propan-2-ol
SMILESCC(C)(O)C1CCN(Cc2nc3nc(Cl)nc(N4CCOCC4)c3s2)CC1
InChIInChI=1S/C18H26ClN5O2S/c1-18(2,25)12-3-5-23(6-4-12)11-13-20-15-14(27-13)16(22-17(19)21-15)24-7-9-26-10-8-24/h12,25H,3-11H2,1-2H3
InChIKeyCHMDTVJJEGWZSG-UHFFFAOYSA-N
XLogP2.56
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.96
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[5-chloro-2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine
CID 58234953
2-[1-[(4-morpholin-4-yl-2-tributylstannylfuro[3,2-d]pyrimidin-6-yl)methyl]piperidin-4-yl]propan-2-ol
CID 59605560
4-[2-chloro-6-[[4-(2-methoxyethyl)piperidin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 57494043
2-[4-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]-2-methylpropan-1-ol
CID 57493976
2-[1-[2-(2-chloro-9-methyl-6-morpholin-4-ylpurin-8-yl)ethyl]azetidin-3-yl]propan-2-ol
CID 59605651
4-[5-chloro-2-(4-methylsulfonylpiperazin-1-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine
CID 86630079
(3R,4S)-4-(azetidin-1-yl)-1-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperidine-3-carboxamide
CID 58117118
4-[2-chloro-6-[(4-piperidin-1-ylpiperidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 86623510
tert-butyl 4-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazine-1-carboxylate
CID 57494058
2-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-1-methoxypropan-2-ol
CID 86624221
1-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-(2-methoxyethyl)-N-methylpiperidin-4-amine
CID 57493974
N-[[1-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperidin-4-yl]-cyclopropylmethyl]-2-methoxyethanamine
CID 87197844

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-chloro-7-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)methyl]piperidin-4-yl]propan-2-ol?
The IUPAC name of 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) is 2-[1-[(5-chloro-7-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)methyl]piperidin-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[(5-chloro-7-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)methyl]piperidin-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-[(5-chloro-7-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)methyl]piperidin-4-yl]propan-2-ol is CC(C)(O)C1CCN(Cc2nc3nc(Cl)nc(N4CCOCC4)c3s2)CC1.
What is the InChIKey of 2-[1-[(5-chloro-7-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)methyl]piperidin-4-yl]propan-2-ol?
The InChIKey is CHMDTVJJEGWZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN5O2S/c1-18(2,25)12-3-5-23(6-4-12)11-13-20-15-14(27-13)16(22-17(19)21-15)24-7-9-26-10-8-24/h12,25H,3-11H2,1-2H3.
What are the key properties of 2-[1-[(5-chloro-7-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)methyl]piperidin-4-yl]propan-2-ol?
2-[1-[(5-chloro-7-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)methyl]piperidin-4-yl]propan-2-ol has a molecular weight of 411.96 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-chloro-7-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)methyl]piperidin-4-yl]propan-2-ol is sourced from PubChem (CID 59605357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).