[1-[6-[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]pyrimidin-4-yl]piperidin-3-yl]methanol

C18H25N5O2S — CID 133300552

IUPAC[1-[6-[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
SMILESCc1csc(C2CN(c3cc(N4CCCC(CO)C4)ncn3)CCO2)n1
InChIInChI=1S/C18H25N5O2S/c1-13-11-26-18(21-13)15-9-23(5-6-25-15)17-7-16(19-12-20-17)22-4-2-3-14(8-22)10-24/h7,11-12,14-15,24H,2-6,8-10H2,1H3
InChIKeyLMCRJRBKEKHVEE-UHFFFAOYSA-N
MW375.50 g/mol
LogP2.03
Rot. Bonds4

About [1-[6-[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]pyrimidin-4-yl]piperidin-3-yl]methanol

[1-[6-[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]pyrimidin-4-yl]piperidin-3-yl]methanol (PubChem CID 133300552) has the molecular formula C18H25N5O2S and a molecular weight of 375.50 g/mol. Its IUPAC name is [1-[6-[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]pyrimidin-4-yl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[6-[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
PubChem CID133300552
Molecular FormulaC18H25N5O2S
Molecular Weight375.50 g/mol
Exact Mass375.17
IUPAC Name[1-[6-[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
SMILESCc1csc(C2CN(c3cc(N4CCCC(CO)C4)ncn3)CCO2)n1
InChIInChI=1S/C18H25N5O2S/c1-13-11-26-18(21-13)15-9-23(5-6-25-15)17-7-16(19-12-20-17)22-4-2-3-14(8-22)10-24/h7,11-12,14-15,24H,2-6,8-10H2,1H3
InChIKeyLMCRJRBKEKHVEE-UHFFFAOYSA-N
XLogP2.03
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(4,4-difluorocyclohexyl)-[6-[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]pyrimidin-4-yl]carbamic acid
CID 139300520
(2S)-2-(4-methyl-1,3-thiazol-2-yl)-4-quinoxalin-2-ylmorpholine
CID 95138385
4-(2-methyl-4-pyridinyl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 133464291
[1-[6-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133300724
[1-[6-[3-(azepan-1-yl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133454449
1-[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 120963862
4-(3,5-dichloro-2-pyridinyl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 126803952
[1-[6-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133463281
[1-[6-(diethylamino)pyrimidin-4-yl]piperidin-3-yl]methanol
CID 66570083
[(3R)-1-[6-(diethylamino)pyrimidin-4-yl]piperidin-3-yl]methanol
CID 86331729
4-[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 166190766
[1-[6-[4-(2,6-dimethylphenoxy)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133297380

Frequently Asked Questions

What is the IUPAC name of [1-[6-[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]pyrimidin-4-yl]piperidin-3-yl]methanol?
The IUPAC name of [1-[6-[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]pyrimidin-4-yl]piperidin-3-yl]methanol (CID 133300552) is [1-[6-[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]pyrimidin-4-yl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[6-[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]pyrimidin-4-yl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[6-[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]pyrimidin-4-yl]piperidin-3-yl]methanol is Cc1csc(C2CN(c3cc(N4CCCC(CO)C4)ncn3)CCO2)n1.
What is the InChIKey of [1-[6-[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]pyrimidin-4-yl]piperidin-3-yl]methanol?
The InChIKey is LMCRJRBKEKHVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2S/c1-13-11-26-18(21-13)15-9-23(5-6-25-15)17-7-16(19-12-20-17)22-4-2-3-14(8-22)10-24/h7,11-12,14-15,24H,2-6,8-10H2,1H3.
What are the key properties of [1-[6-[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]pyrimidin-4-yl]piperidin-3-yl]methanol?
[1-[6-[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]pyrimidin-4-yl]piperidin-3-yl]methanol has a molecular weight of 375.50 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]pyrimidin-4-yl]piperidin-3-yl]methanol is sourced from PubChem (CID 133300552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).