N-[1-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine

C16H27N3S — CID 115998367

IUPACN-[1-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cnc(C2CC3CCC(C2)N3C)s1
InChIInChI=1S/C16H27N3S/c1-4-7-17-11(2)15-10-18-16(20-15)12-8-13-5-6-14(9-12)19(13)3/h10-14,17H,4-9H2,1-3H3
InChIKeyLZMTYMYRQNSALO-UHFFFAOYSA-N
MW293.48 g/mol
LogP3.54
Rot. Bonds5

About N-[1-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine

N-[1-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine (PubChem CID 115998367) has the molecular formula C16H27N3S and a molecular weight of 293.48 g/mol. Its IUPAC name is N-[1-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
PubChem CID115998367
Molecular FormulaC16H27N3S
Molecular Weight293.48 g/mol
Exact Mass293.19
IUPAC NameN-[1-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cnc(C2CC3CCC(C2)N3C)s1
InChIInChI=1S/C16H27N3S/c1-4-7-17-11(2)15-10-18-16(20-15)12-8-13-5-6-14(9-12)19(13)3/h10-14,17H,4-9H2,1-3H3
InChIKeyLZMTYMYRQNSALO-UHFFFAOYSA-N
XLogP3.54
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine (CID 115998367) is N-[1-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine is CCCNC(C)c1cnc(C2CC3CCC(C2)N3C)s1.
What is the InChIKey of N-[1-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The InChIKey is LZMTYMYRQNSALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3S/c1-4-7-17-11(2)15-10-18-16(20-15)12-8-13-5-6-14(9-12)19(13)3/h10-14,17H,4-9H2,1-3H3.
What are the key properties of N-[1-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
N-[1-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine has a molecular weight of 293.48 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 115998367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).