[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-3-yl]-morpholin-4-ylmethanone

C16H23N5O2S — CID 72925067

IUPAC[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCc1nn(C)c2nc(N3CCCC(C(=O)N4CCOCC4)C3)sc12
InChIInChI=1S/C16H23N5O2S/c1-11-13-14(19(2)18-11)17-16(24-13)21-5-3-4-12(10-21)15(22)20-6-8-23-9-7-20/h12H,3-10H2,1-2H3
InChIKeyISZGOJRQGLYJFH-UHFFFAOYSA-N
MW349.46 g/mol
LogP1.41
Rot. Bonds2

About [1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-3-yl]-morpholin-4-ylmethanone

[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 72925067) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is [1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-3-yl]-morpholin-4-ylmethanone
PubChem CID72925067
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC Name[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCc1nn(C)c2nc(N3CCCC(C(=O)N4CCOCC4)C3)sc12
InChIInChI=1S/C16H23N5O2S/c1-11-13-14(19(2)18-11)17-16(24-13)21-5-3-4-12(10-21)15(22)20-6-8-23-9-7-20/h12H,3-10H2,1-2H3
InChIKeyISZGOJRQGLYJFH-UHFFFAOYSA-N
XLogP1.41
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 90611663
[1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 155976420
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-3-yl]methanone
CID 53123168
methyl 4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-1-methylpiperazine-2-carboxylate
CID 72940132
[(3S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 94521513
1-[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-3-yl]pyrrolidin-2-one
CID 72838541
[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 165434746
5-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole
CID 97278378
[(3S)-1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 95346410
[(3R)-1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 95346412
(4R)-1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-N,N-dimethylazepan-4-amine
CID 97437728
[1-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 86831548

Frequently Asked Questions

What is the IUPAC name of [1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-3-yl]-morpholin-4-ylmethanone (CID 72925067) is [1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-3-yl]-morpholin-4-ylmethanone is Cc1nn(C)c2nc(N3CCCC(C(=O)N4CCOCC4)C3)sc12.
What is the InChIKey of [1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is ISZGOJRQGLYJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-11-13-14(19(2)18-11)17-16(24-13)21-5-3-4-12(10-21)15(22)20-6-8-23-9-7-20/h12H,3-10H2,1-2H3.
What are the key properties of [1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-3-yl]-morpholin-4-ylmethanone?
[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 349.46 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 72925067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).