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

C18H25ClN6OS — CID 58234953

IUPAC4-[5-chloro-2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine
SMILESClc1nc(N2CCOCC2)c2sc(CN3CCN(CC4CC4)CC3)nc2n1
InChIInChI=1S/C18H25ClN6OS/c19-18-21-16-15(17(22-18)25-7-9-26-10-8-25)27-14(20-16)12-24-5-3-23(4-6-24)11-13-1-2-13/h13H,1-12H2
InChIKeyFICWMTLCZRGKLO-UHFFFAOYSA-N
MW408.96 g/mol
LogP2.10
Rot. Bonds5

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

4-[5-chloro-2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine (PubChem CID 58234953) has the molecular formula C18H25ClN6OS and a molecular weight of 408.96 g/mol. Its IUPAC name is 4-[5-chloro-2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Name4-[5-chloro-2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine
PubChem CID58234953
Molecular FormulaC18H25ClN6OS
Molecular Weight408.96 g/mol
Exact Mass408.15
IUPAC Name4-[5-chloro-2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine
SMILESClc1nc(N2CCOCC2)c2sc(CN3CCN(CC4CC4)CC3)nc2n1
InChIInChI=1S/C18H25ClN6OS/c19-18-21-16-15(17(22-18)25-7-9-26-10-8-25)27-14(20-16)12-24-5-3-23(4-6-24)11-13-1-2-13/h13H,1-12H2
InChIKeyFICWMTLCZRGKLO-UHFFFAOYSA-N
XLogP2.10
TPSA57.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.96
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2,7-Dimorpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-amine
CID 53318022
4-[7-[3-(Difluoromethyl)piperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]morpholine
CID 167787434
4-(5-Chloro-2-iodothiazolo[4,5-d]pyrimidin-7-yl)morpholine
CID 25252763
4-(2,5-Dichloro-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)morpholine
CID 25255101
(5-Chloro-7-morpholinothiazolo[4,5-d]pyrimidin-2-yl)methanamine
CID 57685386
4-(5-Chloro-2-(methylthio)thiazolo[4,5-d]pyrimidin-7-yl)morpholine
CID 57685391
5-Chloro-7-morpholinothiazolo[4,5-d]pyrimidine-2-carbaldehyde
CID 57685392
4-(2-(Bromomethyl)-5-chlorothiazolo[4,5-d]pyrimidin-7-yl)morpholine
CID 57685396
(5-Chloro-7-morpholinothiazolo[4,5-d]pyrimidin-2-yl)methanol
CID 57685397
4-(2-Iodo-5-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)morpholine
CID 57685403
5-Chloro-2,7-dimorpholinothiazolo[4,5-d]pyrimidine
CID 57685409
1-(5-Chloro-7-morpholinothiazolo[4,5-d]pyrimidin-2-yl)-n-methylmethanamine
CID 57685410

Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine?
The IUPAC name of 4-[5-chloro-2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine (CID 58234953) is 4-[5-chloro-2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine.
What is the SMILES notation for 4-[5-chloro-2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine?
The canonical SMILES for 4-[5-chloro-2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine is Clc1nc(N2CCOCC2)c2sc(CN3CCN(CC4CC4)CC3)nc2n1.
What is the InChIKey of 4-[5-chloro-2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine?
The InChIKey is FICWMTLCZRGKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN6OS/c19-18-21-16-15(17(22-18)25-7-9-26-10-8-25)27-14(20-16)12-24-5-3-23(4-6-24)11-13-1-2-13/h13H,1-12H2.
What are the key properties of 4-[5-chloro-2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine?
4-[5-chloro-2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine has a molecular weight of 408.96 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 58234953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).