4-[2-[3-[3-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]pyrazol-1-yl]ethyl]morpholine

C20H24N4OS — CID 29022638

IUPAC4-[2-[3-[3-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]pyrazol-1-yl]ethyl]morpholine
SMILESCc1nc(C)c(-c2cccc(-c3ccn(CCN4CCOCC4)n3)c2)s1
InChIInChI=1S/C20H24N4OS/c1-15-20(26-16(2)21-15)18-5-3-4-17(14-18)19-6-7-24(22-19)9-8-23-10-12-25-13-11-23/h3-7,14H,8-13H2,1-2H3
InChIKeyWNPUIUUQABAJMY-UHFFFAOYSA-N
MW368.51 g/mol
LogP3.62
Rot. Bonds5

About 4-[2-[3-[3-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]pyrazol-1-yl]ethyl]morpholine

4-[2-[3-[3-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]pyrazol-1-yl]ethyl]morpholine (PubChem CID 29022638) has the molecular formula C20H24N4OS and a molecular weight of 368.51 g/mol. Its IUPAC name is 4-[2-[3-[3-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]pyrazol-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[3-[3-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]pyrazol-1-yl]ethyl]morpholine
PubChem CID29022638
Molecular FormulaC20H24N4OS
Molecular Weight368.51 g/mol
Exact Mass368.17
IUPAC Name4-[2-[3-[3-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]pyrazol-1-yl]ethyl]morpholine
SMILESCc1nc(C)c(-c2cccc(-c3ccn(CCN4CCOCC4)n3)c2)s1
InChIInChI=1S/C20H24N4OS/c1-15-20(26-16(2)21-15)18-5-3-4-17(14-18)19-6-7-24(22-19)9-8-23-10-12-25-13-11-23/h3-7,14H,8-13H2,1-2H3
InChIKeyWNPUIUUQABAJMY-UHFFFAOYSA-N
XLogP3.62
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-6-[3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]phenyl]pyrimidin-4-amine
CID 29150663
5-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]thiophene-2-carboxylic acid
CID 58657297
5-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]thiophene-2-carbonitrile
CID 58657079
4-[2-[[6-(3-methylphenyl)-2-pyridinyl]oxy]ethyl]morpholine
CID 91484041
1-(3-morpholin-4-ylpropyl)pyrazol-3-amine
CID 63310505
2,5-dimethyl-3-[3-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrazol-3-yl]phenyl]pyrazine
CID 45203148
N,N-dimethyl-3-[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]propan-1-amine
CID 28784014
2-(2-morpholin-4-ylethyl)-6-(3-pyrazolo[1,5-a]pyridin-2-ylphenyl)pyridazin-3-one
CID 19767620
3-methoxy-6-[3-[1-(3-methoxypropyl)pyrazol-3-yl]phenyl]pyridazine
CID 31125984
4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-(3-morpholin-4-ylprop-1-ynyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 169032510
4-[[3-[5-(methoxymethyl)-1-methyl-1,2,4-triazol-3-yl]phenyl]methyl]morpholine
CID 157011278
4-[2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)ethyl]morpholine
CID 118024046

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-[3-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]pyrazol-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[3-[3-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]pyrazol-1-yl]ethyl]morpholine (CID 29022638) is 4-[2-[3-[3-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]pyrazol-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[3-[3-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]pyrazol-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[3-[3-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]pyrazol-1-yl]ethyl]morpholine is Cc1nc(C)c(-c2cccc(-c3ccn(CCN4CCOCC4)n3)c2)s1.
What is the InChIKey of 4-[2-[3-[3-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]pyrazol-1-yl]ethyl]morpholine?
The InChIKey is WNPUIUUQABAJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4OS/c1-15-20(26-16(2)21-15)18-5-3-4-17(14-18)19-6-7-24(22-19)9-8-23-10-12-25-13-11-23/h3-7,14H,8-13H2,1-2H3.
What are the key properties of 4-[2-[3-[3-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]pyrazol-1-yl]ethyl]morpholine?
4-[2-[3-[3-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]pyrazol-1-yl]ethyl]morpholine has a molecular weight of 368.51 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-[3-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]pyrazol-1-yl]ethyl]morpholine is sourced from PubChem (CID 29022638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).