(1-aminocyclopropyl)-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride

C15H25Cl2N3OS — CID 119893096

IUPAC(1-aminocyclopropyl)-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride
SMILESCC(C)c1csc(C2CCCN(C(=O)C3(N)CC3)C2)n1.Cl.Cl
InChIInChI=1S/C15H23N3OS.2ClH/c1-10(2)12-9-20-13(17-12)11-4-3-7-18(8-11)14(19)15(16)5-6-15;;/h9-11H,3-8,16H2,1-2H3;2*1H
InChIKeyWRUYTYWHJYKDGE-UHFFFAOYSA-N
MW366.36 g/mol
LogP3.31
Rot. Bonds3

About (1-aminocyclopropyl)-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride

(1-aminocyclopropyl)-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride (PubChem CID 119893096) has the molecular formula C15H25Cl2N3OS and a molecular weight of 366.36 g/mol. Its IUPAC name is (1-aminocyclopropyl)-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name(1-aminocyclopropyl)-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride
PubChem CID119893096
Molecular FormulaC15H25Cl2N3OS
Molecular Weight366.36 g/mol
Exact Mass365.11
IUPAC Name(1-aminocyclopropyl)-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride
SMILESCC(C)c1csc(C2CCCN(C(=O)C3(N)CC3)C2)n1.Cl.Cl
InChIInChI=1S/C15H23N3OS.2ClH/c1-10(2)12-9-20-13(17-12)11-4-3-7-18(8-11)14(19)15(16)5-6-15;;/h9-11H,3-8,16H2,1-2H3;2*1H
InChIKeyWRUYTYWHJYKDGE-UHFFFAOYSA-N
XLogP3.31
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopropyl)-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride?
The IUPAC name of (1-aminocyclopropyl)-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride (CID 119893096) is (1-aminocyclopropyl)-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for (1-aminocyclopropyl)-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride?
The canonical SMILES for (1-aminocyclopropyl)-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride is CC(C)c1csc(C2CCCN(C(=O)C3(N)CC3)C2)n1.Cl.Cl.
What is the InChIKey of (1-aminocyclopropyl)-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride?
The InChIKey is WRUYTYWHJYKDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS.2ClH/c1-10(2)12-9-20-13(17-12)11-4-3-7-18(8-11)14(19)15(16)5-6-15;;/h9-11H,3-8,16H2,1-2H3;2*1H.
What are the key properties of (1-aminocyclopropyl)-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride?
(1-aminocyclopropyl)-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride has a molecular weight of 366.36 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopropyl)-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 119893096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).