N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine

C16H29N3S — CID 107154616

IUPACN-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)(C)CC1CN=C(NC2CCN3CCCC3C2)S1
InChIInChI=1S/C16H29N3S/c1-16(2,3)10-14-11-17-15(20-14)18-12-6-8-19-7-4-5-13(19)9-12/h12-14H,4-11H2,1-3H3,(H,17,18)
InChIKeyBJWGZDDMZXQORD-UHFFFAOYSA-N
MW295.50 g/mol
LogP3.11
Rot. Bonds2

About N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine

N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 107154616) has the molecular formula C16H29N3S and a molecular weight of 295.50 g/mol. Its IUPAC name is N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID107154616
Molecular FormulaC16H29N3S
Molecular Weight295.50 g/mol
Exact Mass295.21
IUPAC NameN-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)(C)CC1CN=C(NC2CCN3CCCC3C2)S1
InChIInChI=1S/C16H29N3S/c1-16(2,3)10-14-11-17-15(20-14)18-12-6-8-19-7-4-5-13(19)9-12/h12-14H,4-11H2,1-3H3,(H,17,18)
InChIKeyBJWGZDDMZXQORD-UHFFFAOYSA-N
XLogP3.11
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.50
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 107154616) is N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is CC(C)(C)CC1CN=C(NC2CCN3CCCC3C2)S1.
What is the InChIKey of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is BJWGZDDMZXQORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3S/c1-16(2,3)10-14-11-17-15(20-14)18-12-6-8-19-7-4-5-13(19)9-12/h12-14H,4-11H2,1-3H3,(H,17,18).
What are the key properties of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 295.50 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 107154616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).