4-[(1-cycloheptyl-4-methylpiperidin-4-yl)oxymethyl]-1,3-thiazol-2-amine

C17H29N3OS — CID 146501430

IUPAC4-[(1-cycloheptyl-4-methylpiperidin-4-yl)oxymethyl]-1,3-thiazol-2-amine
SMILESCC1(OCc2csc(N)n2)CCN(C2CCCCCC2)CC1
InChIInChI=1S/C17H29N3OS/c1-17(21-12-14-13-22-16(18)19-14)8-10-20(11-9-17)15-6-4-2-3-5-7-15/h13,15H,2-12H2,1H3,(H2,18,19)
InChIKeyXBEADBJFCAVRGT-UHFFFAOYSA-N
MW323.51 g/mol
LogP3.82
Rot. Bonds4

About 4-[(1-cycloheptyl-4-methylpiperidin-4-yl)oxymethyl]-1,3-thiazol-2-amine

4-[(1-cycloheptyl-4-methylpiperidin-4-yl)oxymethyl]-1,3-thiazol-2-amine (PubChem CID 146501430) has the molecular formula C17H29N3OS and a molecular weight of 323.51 g/mol. Its IUPAC name is 4-[(1-cycloheptyl-4-methylpiperidin-4-yl)oxymethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(1-cycloheptyl-4-methylpiperidin-4-yl)oxymethyl]-1,3-thiazol-2-amine
PubChem CID146501430
Molecular FormulaC17H29N3OS
Molecular Weight323.51 g/mol
Exact Mass323.20
IUPAC Name4-[(1-cycloheptyl-4-methylpiperidin-4-yl)oxymethyl]-1,3-thiazol-2-amine
SMILESCC1(OCc2csc(N)n2)CCN(C2CCCCCC2)CC1
InChIInChI=1S/C17H29N3OS/c1-17(21-12-14-13-22-16(18)19-14)8-10-20(11-9-17)15-6-4-2-3-5-7-15/h13,15H,2-12H2,1H3,(H2,18,19)
InChIKeyXBEADBJFCAVRGT-UHFFFAOYSA-N
XLogP3.82
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.51
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-cycloheptyl-4-methylpiperidin-4-yl)oxymethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(1-cycloheptyl-4-methylpiperidin-4-yl)oxymethyl]-1,3-thiazol-2-amine (CID 146501430) is 4-[(1-cycloheptyl-4-methylpiperidin-4-yl)oxymethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(1-cycloheptyl-4-methylpiperidin-4-yl)oxymethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(1-cycloheptyl-4-methylpiperidin-4-yl)oxymethyl]-1,3-thiazol-2-amine is CC1(OCc2csc(N)n2)CCN(C2CCCCCC2)CC1.
What is the InChIKey of 4-[(1-cycloheptyl-4-methylpiperidin-4-yl)oxymethyl]-1,3-thiazol-2-amine?
The InChIKey is XBEADBJFCAVRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3OS/c1-17(21-12-14-13-22-16(18)19-14)8-10-20(11-9-17)15-6-4-2-3-5-7-15/h13,15H,2-12H2,1H3,(H2,18,19).
What are the key properties of 4-[(1-cycloheptyl-4-methylpiperidin-4-yl)oxymethyl]-1,3-thiazol-2-amine?
4-[(1-cycloheptyl-4-methylpiperidin-4-yl)oxymethyl]-1,3-thiazol-2-amine has a molecular weight of 323.51 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-cycloheptyl-4-methylpiperidin-4-yl)oxymethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 146501430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).