N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine

C17H29N3S — CID 62769102

IUPACN-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCCCc1nc(N2CC3CCC2C3)sc1CNCC(C)C
InChIInChI=1S/C17H29N3S/c1-4-5-15-16(10-18-9-12(2)3)21-17(19-15)20-11-13-6-7-14(20)8-13/h12-14,18H,4-11H2,1-3H3
InChIKeyFAZSCESRTYIAAK-UHFFFAOYSA-N
MW307.51 g/mol
LogP3.83
Rot. Bonds7

About N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine

N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine (PubChem CID 62769102) has the molecular formula C17H29N3S and a molecular weight of 307.51 g/mol. Its IUPAC name is N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
PubChem CID62769102
Molecular FormulaC17H29N3S
Molecular Weight307.51 g/mol
Exact Mass307.21
IUPAC NameN-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCCCc1nc(N2CC3CCC2C3)sc1CNCC(C)C
InChIInChI=1S/C17H29N3S/c1-4-5-15-16(10-18-9-12(2)3)21-17(19-15)20-11-13-6-7-14(20)8-13/h12-14,18H,4-11H2,1-3H3
InChIKeyFAZSCESRTYIAAK-UHFFFAOYSA-N
XLogP3.83
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.51
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine (CID 62769102) is N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine is CCCc1nc(N2CC3CCC2C3)sc1CNCC(C)C.
What is the InChIKey of N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is FAZSCESRTYIAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3S/c1-4-5-15-16(10-18-9-12(2)3)21-17(19-15)20-11-13-6-7-14(20)8-13/h12-14,18H,4-11H2,1-3H3.
What are the key properties of N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 307.51 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62769102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).