1-[[[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-methylamino]methyl]cyclopentan-1-ol

C15H24N4OS — CID 114950575

IUPAC1-[[[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-methylamino]methyl]cyclopentan-1-ol
SMILESCCNCc1c(N(C)CC2(O)CCCC2)nc2sccn12
InChIInChI=1S/C15H24N4OS/c1-3-16-10-12-13(17-14-19(12)8-9-21-14)18(2)11-15(20)6-4-5-7-15/h8-9,16,20H,3-7,10-11H2,1-2H3
InChIKeyMSOOUGANCNGOOM-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.25
Rot. Bonds6

About 1-[[[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-methylamino]methyl]cyclopentan-1-ol

1-[[[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-methylamino]methyl]cyclopentan-1-ol (PubChem CID 114950575) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is 1-[[[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-methylamino]methyl]cyclopentan-1-ol
PubChem CID114950575
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC Name1-[[[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-methylamino]methyl]cyclopentan-1-ol
SMILESCCNCc1c(N(C)CC2(O)CCCC2)nc2sccn12
InChIInChI=1S/C15H24N4OS/c1-3-16-10-12-13(17-14-19(12)8-9-21-14)18(2)11-15(20)6-4-5-7-15/h8-9,16,20H,3-7,10-11H2,1-2H3
InChIKeyMSOOUGANCNGOOM-UHFFFAOYSA-N
XLogP2.25
TPSA52.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-methylamino]methyl]cyclopentan-1-ol (CID 114950575) is 1-[[[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-methylamino]methyl]cyclopentan-1-ol is CCNCc1c(N(C)CC2(O)CCCC2)nc2sccn12.
What is the InChIKey of 1-[[[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-methylamino]methyl]cyclopentan-1-ol?
The InChIKey is MSOOUGANCNGOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-3-16-10-12-13(17-14-19(12)8-9-21-14)18(2)11-15(20)6-4-5-7-15/h8-9,16,20H,3-7,10-11H2,1-2H3.
What are the key properties of 1-[[[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-methylamino]methyl]cyclopentan-1-ol?
1-[[[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-methylamino]methyl]cyclopentan-1-ol has a molecular weight of 308.45 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 114950575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).