5-(2,2-dimethylpropyl)-N-(1-propylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine

C16H31N3S — CID 107154143

IUPAC5-(2,2-dimethylpropyl)-N-(1-propylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCCN1CCC(NC2=NCC(CC(C)(C)C)S2)CC1
InChIInChI=1S/C16H31N3S/c1-5-8-19-9-6-13(7-10-19)18-15-17-12-14(20-15)11-16(2,3)4/h13-14H,5-12H2,1-4H3,(H,17,18)
InChIKeyCIGZOCDRIFZYGF-UHFFFAOYSA-N
MW297.51 g/mol
LogP3.36
Rot. Bonds4

About 5-(2,2-dimethylpropyl)-N-(1-propylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine

5-(2,2-dimethylpropyl)-N-(1-propylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 107154143) has the molecular formula C16H31N3S and a molecular weight of 297.51 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-N-(1-propylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-N-(1-propylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID107154143
Molecular FormulaC16H31N3S
Molecular Weight297.51 g/mol
Exact Mass297.22
IUPAC Name5-(2,2-dimethylpropyl)-N-(1-propylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCCN1CCC(NC2=NCC(CC(C)(C)C)S2)CC1
InChIInChI=1S/C16H31N3S/c1-5-8-19-9-6-13(7-10-19)18-15-17-12-14(20-15)11-16(2,3)4/h13-14H,5-12H2,1-4H3,(H,17,18)
InChIKeyCIGZOCDRIFZYGF-UHFFFAOYSA-N
XLogP3.36
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.51
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-N-(1-propylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-(2,2-dimethylpropyl)-N-(1-propylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine (CID 107154143) is 5-(2,2-dimethylpropyl)-N-(1-propylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-N-(1-propylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2,2-dimethylpropyl)-N-(1-propylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine is CCCN1CCC(NC2=NCC(CC(C)(C)C)S2)CC1.
What is the InChIKey of 5-(2,2-dimethylpropyl)-N-(1-propylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is CIGZOCDRIFZYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3S/c1-5-8-19-9-6-13(7-10-19)18-15-17-12-14(20-15)11-16(2,3)4/h13-14H,5-12H2,1-4H3,(H,17,18).
What are the key properties of 5-(2,2-dimethylpropyl)-N-(1-propylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine?
5-(2,2-dimethylpropyl)-N-(1-propylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 297.51 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-N-(1-propylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 107154143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).