4-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(1H-pyrazol-5-yl)morpholine

C15H19N5OS — CID 166316141

IUPAC4-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(1H-pyrazol-5-yl)morpholine
SMILESCc1nc2scc(C)n2c1CN1CCOCC1c1ccn[nH]1
InChIInChI=1S/C15H19N5OS/c1-10-9-22-15-17-11(2)13(20(10)15)7-19-5-6-21-8-14(19)12-3-4-16-18-12/h3-4,9,14H,5-8H2,1-2H3,(H,16,18)
InChIKeyBOFYABSHFGCBRZ-UHFFFAOYSA-N
MW317.42 g/mol
LogP2.31
Rot. Bonds3

About 4-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(1H-pyrazol-5-yl)morpholine

4-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(1H-pyrazol-5-yl)morpholine (PubChem CID 166316141) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is 4-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(1H-pyrazol-5-yl)morpholine.

Molecular Properties

Compound Name4-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(1H-pyrazol-5-yl)morpholine
PubChem CID166316141
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC Name4-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(1H-pyrazol-5-yl)morpholine
SMILESCc1nc2scc(C)n2c1CN1CCOCC1c1ccn[nH]1
InChIInChI=1S/C15H19N5OS/c1-10-9-22-15-17-11(2)13(20(10)15)7-19-5-6-21-8-14(19)12-3-4-16-18-12/h3-4,9,14H,5-8H2,1-2H3,(H,16,18)
InChIKeyBOFYABSHFGCBRZ-UHFFFAOYSA-N
XLogP2.31
TPSA58.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(1H-pyrazol-5-yl)morpholine?
The IUPAC name of 4-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(1H-pyrazol-5-yl)morpholine (CID 166316141) is 4-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(1H-pyrazol-5-yl)morpholine.
What is the SMILES notation for 4-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(1H-pyrazol-5-yl)morpholine?
The canonical SMILES for 4-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(1H-pyrazol-5-yl)morpholine is Cc1nc2scc(C)n2c1CN1CCOCC1c1ccn[nH]1.
What is the InChIKey of 4-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(1H-pyrazol-5-yl)morpholine?
The InChIKey is BOFYABSHFGCBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS/c1-10-9-22-15-17-11(2)13(20(10)15)7-19-5-6-21-8-14(19)12-3-4-16-18-12/h3-4,9,14H,5-8H2,1-2H3,(H,16,18).
What are the key properties of 4-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(1H-pyrazol-5-yl)morpholine?
4-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(1H-pyrazol-5-yl)morpholine has a molecular weight of 317.42 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(1H-pyrazol-5-yl)morpholine is sourced from PubChem (CID 166316141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).