ethane;5-[1-(2-ethyl-2-azaspiro[3.3]heptan-6-yl)piperidin-4-yl]-2-propan-2-yl-1,3-thiazole

C21H37N3S — CID 170613816

IUPACethane;5-[1-(2-ethyl-2-azaspiro[3.3]heptan-6-yl)piperidin-4-yl]-2-propan-2-yl-1,3-thiazole
SMILESCC.CCN1CC2(CC(N3CCC(c4cnc(C(C)C)s4)CC3)C2)C1
InChIInChI=1S/C19H31N3S.C2H6/c1-4-21-12-19(13-21)9-16(10-19)22-7-5-15(6-8-22)17-11-20-18(23-17)14(2)3;1-2/h11,14-16H,4-10,12-13H2,1-3H3;1-2H3
InChIKeyORHNMDCBDQDZTO-UHFFFAOYSA-N
MW363.62 g/mol
LogP4.96
Rot. Bonds4

About ethane;5-[1-(2-ethyl-2-azaspiro[3.3]heptan-6-yl)piperidin-4-yl]-2-propan-2-yl-1,3-thiazole

ethane;5-[1-(2-ethyl-2-azaspiro[3.3]heptan-6-yl)piperidin-4-yl]-2-propan-2-yl-1,3-thiazole (PubChem CID 170613816) has the molecular formula C21H37N3S and a molecular weight of 363.62 g/mol. Its IUPAC name is ethane;5-[1-(2-ethyl-2-azaspiro[3.3]heptan-6-yl)piperidin-4-yl]-2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Nameethane;5-[1-(2-ethyl-2-azaspiro[3.3]heptan-6-yl)piperidin-4-yl]-2-propan-2-yl-1,3-thiazole
PubChem CID170613816
Molecular FormulaC21H37N3S
Molecular Weight363.62 g/mol
Exact Mass363.27
IUPAC Nameethane;5-[1-(2-ethyl-2-azaspiro[3.3]heptan-6-yl)piperidin-4-yl]-2-propan-2-yl-1,3-thiazole
SMILESCC.CCN1CC2(CC(N3CCC(c4cnc(C(C)C)s4)CC3)C2)C1
InChIInChI=1S/C19H31N3S.C2H6/c1-4-21-12-19(13-21)9-16(10-19)22-7-5-15(6-8-22)17-11-20-18(23-17)14(2)3;1-2/h11,14-16H,4-10,12-13H2,1-3H3;1-2H3
InChIKeyORHNMDCBDQDZTO-UHFFFAOYSA-N
XLogP4.96
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.62
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;5-[1-(2-ethyl-2-azaspiro[3.3]heptan-6-yl)piperidin-4-yl]-2-propan-2-yl-1,3-thiazole?
The IUPAC name of ethane;5-[1-(2-ethyl-2-azaspiro[3.3]heptan-6-yl)piperidin-4-yl]-2-propan-2-yl-1,3-thiazole (CID 170613816) is ethane;5-[1-(2-ethyl-2-azaspiro[3.3]heptan-6-yl)piperidin-4-yl]-2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for ethane;5-[1-(2-ethyl-2-azaspiro[3.3]heptan-6-yl)piperidin-4-yl]-2-propan-2-yl-1,3-thiazole?
The canonical SMILES for ethane;5-[1-(2-ethyl-2-azaspiro[3.3]heptan-6-yl)piperidin-4-yl]-2-propan-2-yl-1,3-thiazole is CC.CCN1CC2(CC(N3CCC(c4cnc(C(C)C)s4)CC3)C2)C1.
What is the InChIKey of ethane;5-[1-(2-ethyl-2-azaspiro[3.3]heptan-6-yl)piperidin-4-yl]-2-propan-2-yl-1,3-thiazole?
The InChIKey is ORHNMDCBDQDZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3S.C2H6/c1-4-21-12-19(13-21)9-16(10-19)22-7-5-15(6-8-22)17-11-20-18(23-17)14(2)3;1-2/h11,14-16H,4-10,12-13H2,1-3H3;1-2H3.
What are the key properties of ethane;5-[1-(2-ethyl-2-azaspiro[3.3]heptan-6-yl)piperidin-4-yl]-2-propan-2-yl-1,3-thiazole?
ethane;5-[1-(2-ethyl-2-azaspiro[3.3]heptan-6-yl)piperidin-4-yl]-2-propan-2-yl-1,3-thiazole has a molecular weight of 363.62 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-[1-(2-ethyl-2-azaspiro[3.3]heptan-6-yl)piperidin-4-yl]-2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 170613816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).