(piperidin-4-ylmethylamino)-(5-propan-2-yl-1,2-thiazol-3-yl)methanol

C13H23N3OS — CID 146424232

IUPAC(piperidin-4-ylmethylamino)-(5-propan-2-yl-1,2-thiazol-3-yl)methanol
SMILESCC(C)c1cc(C(O)NCC2CCNCC2)ns1
InChIInChI=1S/C13H23N3OS/c1-9(2)12-7-11(16-18-12)13(17)15-8-10-3-5-14-6-4-10/h7,9-10,13-15,17H,3-6,8H2,1-2H3
InChIKeyOVEZLZGBSRDJGQ-UHFFFAOYSA-N
MW269.41 g/mol
LogP1.85
Rot. Bonds5

About (piperidin-4-ylmethylamino)-(5-propan-2-yl-1,2-thiazol-3-yl)methanol

(piperidin-4-ylmethylamino)-(5-propan-2-yl-1,2-thiazol-3-yl)methanol (PubChem CID 146424232) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is (piperidin-4-ylmethylamino)-(5-propan-2-yl-1,2-thiazol-3-yl)methanol.

Molecular Properties

Compound Name(piperidin-4-ylmethylamino)-(5-propan-2-yl-1,2-thiazol-3-yl)methanol
PubChem CID146424232
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name(piperidin-4-ylmethylamino)-(5-propan-2-yl-1,2-thiazol-3-yl)methanol
SMILESCC(C)c1cc(C(O)NCC2CCNCC2)ns1
InChIInChI=1S/C13H23N3OS/c1-9(2)12-7-11(16-18-12)13(17)15-8-10-3-5-14-6-4-10/h7,9-10,13-15,17H,3-6,8H2,1-2H3
InChIKeyOVEZLZGBSRDJGQ-UHFFFAOYSA-N
XLogP1.85
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (piperidin-4-ylmethylamino)-(5-propan-2-yl-1,2-thiazol-3-yl)methanol?
The IUPAC name of (piperidin-4-ylmethylamino)-(5-propan-2-yl-1,2-thiazol-3-yl)methanol (CID 146424232) is (piperidin-4-ylmethylamino)-(5-propan-2-yl-1,2-thiazol-3-yl)methanol.
What is the SMILES notation for (piperidin-4-ylmethylamino)-(5-propan-2-yl-1,2-thiazol-3-yl)methanol?
The canonical SMILES for (piperidin-4-ylmethylamino)-(5-propan-2-yl-1,2-thiazol-3-yl)methanol is CC(C)c1cc(C(O)NCC2CCNCC2)ns1.
What is the InChIKey of (piperidin-4-ylmethylamino)-(5-propan-2-yl-1,2-thiazol-3-yl)methanol?
The InChIKey is OVEZLZGBSRDJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-9(2)12-7-11(16-18-12)13(17)15-8-10-3-5-14-6-4-10/h7,9-10,13-15,17H,3-6,8H2,1-2H3.
What are the key properties of (piperidin-4-ylmethylamino)-(5-propan-2-yl-1,2-thiazol-3-yl)methanol?
(piperidin-4-ylmethylamino)-(5-propan-2-yl-1,2-thiazol-3-yl)methanol has a molecular weight of 269.41 g/mol, XLogP of 1.85, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (piperidin-4-ylmethylamino)-(5-propan-2-yl-1,2-thiazol-3-yl)methanol is sourced from PubChem (CID 146424232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).