4-[5-[[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]morpholine

C19H27N5OS — CID 77087056

IUPAC4-[5-[[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]morpholine
SMILESCc1cc(N2CCN(Cc3cnc(N4CCOCC4)s3)CC2)cc(C)n1
InChIInChI=1S/C19H27N5OS/c1-15-11-17(12-16(2)21-15)23-5-3-22(4-6-23)14-18-13-20-19(26-18)24-7-9-25-10-8-24/h11-13H,3-10,14H2,1-2H3
InChIKeyHXHZBCSYAOUIGS-UHFFFAOYSA-N
MW373.53 g/mol
LogP2.31
Rot. Bonds4

About 4-[5-[[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]morpholine

4-[5-[[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]morpholine (PubChem CID 77087056) has the molecular formula C19H27N5OS and a molecular weight of 373.53 g/mol. Its IUPAC name is 4-[5-[[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-[[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]morpholine
PubChem CID77087056
Molecular FormulaC19H27N5OS
Molecular Weight373.53 g/mol
Exact Mass373.19
IUPAC Name4-[5-[[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]morpholine
SMILESCc1cc(N2CCN(Cc3cnc(N4CCOCC4)s3)CC2)cc(C)n1
InChIInChI=1S/C19H27N5OS/c1-15-11-17(12-16(2)21-15)23-5-3-22(4-6-23)14-18-13-20-19(26-18)24-7-9-25-10-8-24/h11-13H,3-10,14H2,1-2H3
InChIKeyHXHZBCSYAOUIGS-UHFFFAOYSA-N
XLogP2.31
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.53
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[5-[[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]morpholine with MolForge

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Related Compounds

4-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]morpholine
CID 1481542
5-(piperidin-1-ylmethyl)-2-pyrrolidin-1-yl-1,3-thiazole
CID 118472763
4-[5-[(2-methyl-4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]morpholine
CID 56710534
4-[5-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-yl]morpholine
CID 77091734
(3S,4R)-4-(hydroxymethyl)-1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-ol
CID 155496457
[4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1,4-diazepan-1-yl]-(oxan-4-yl)methanone
CID 25268867
9-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-2-oxa-9-azaspiro[4.5]decane
CID 72940573
2-(2-morpholin-4-yl-1,3-thiazol-5-yl)acetic acid
CID 82374896
2-[(2R)-1-(3-methylbutyl)-4-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperazin-2-yl]ethanol
CID 98591177
2-[4-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 45221443
1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol
CID 42454719
5-[[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120901161

Frequently Asked Questions

What is the IUPAC name of 4-[5-[[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]morpholine?
The IUPAC name of 4-[5-[[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]morpholine (CID 77087056) is 4-[5-[[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]morpholine.
What is the SMILES notation for 4-[5-[[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]morpholine?
The canonical SMILES for 4-[5-[[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]morpholine is Cc1cc(N2CCN(Cc3cnc(N4CCOCC4)s3)CC2)cc(C)n1.
What is the InChIKey of 4-[5-[[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]morpholine?
The InChIKey is HXHZBCSYAOUIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5OS/c1-15-11-17(12-16(2)21-15)23-5-3-22(4-6-23)14-18-13-20-19(26-18)24-7-9-25-10-8-24/h11-13H,3-10,14H2,1-2H3.
What are the key properties of 4-[5-[[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]morpholine?
4-[5-[[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]morpholine has a molecular weight of 373.53 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]morpholine is sourced from PubChem (CID 77087056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).