(2R)-2-amino-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one;dihydrochloride

C11H19Cl2N3OS — CID 119873434

IUPAC(2R)-2-amino-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one;dihydrochloride
SMILESC[C@@H](N)C(=O)N1CCCC(c2nccs2)C1.Cl.Cl
InChIInChI=1S/C11H17N3OS.2ClH/c1-8(12)11(15)14-5-2-3-9(7-14)10-13-4-6-16-10;;/h4,6,8-9H,2-3,5,7,12H2,1H3;2*1H/t8-,9?;;/m1../s1
InChIKeyTZADZSKYIJQRTR-QMKDJUJBSA-N
MW312.27 g/mol
LogP2.04
Rot. Bonds2

About (2R)-2-amino-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one;dihydrochloride

(2R)-2-amino-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one;dihydrochloride (PubChem CID 119873434) has the molecular formula C11H19Cl2N3OS and a molecular weight of 312.27 g/mol. Its IUPAC name is (2R)-2-amino-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one;dihydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one;dihydrochloride
PubChem CID119873434
Molecular FormulaC11H19Cl2N3OS
Molecular Weight312.27 g/mol
Exact Mass311.06
IUPAC Name(2R)-2-amino-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one;dihydrochloride
SMILESC[C@@H](N)C(=O)N1CCCC(c2nccs2)C1.Cl.Cl
InChIInChI=1S/C11H17N3OS.2ClH/c1-8(12)11(15)14-5-2-3-9(7-14)10-13-4-6-16-10;;/h4,6,8-9H,2-3,5,7,12H2,1H3;2*1H/t8-,9?;;/m1../s1
InChIKeyTZADZSKYIJQRTR-QMKDJUJBSA-N
XLogP2.04
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.27
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 119873347
2-amino-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone;dihydrochloride
CID 119873436
(2R)-2-imidazol-1-yl-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 95762087
3-(1,3-thiazol-2-yl)azepane-1-carboxamide
CID 67258050
(4-methylpyrimidin-5-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 124553964
(2R)-2-methyl-3-phenylmethoxy-1-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 95762121
(3-methylthiophen-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 127247570
(2-hydroxycyclopentyl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 110014632
(5S)-5-[(3R)-3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 95762094
(3-propan-2-yl-1,2-oxazol-5-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 124992269
(4-methylthiophen-2-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 125024129
3-(2-propan-2-ylimidazol-1-yl)-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 124945186

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one;dihydrochloride?
The IUPAC name of (2R)-2-amino-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one;dihydrochloride (CID 119873434) is (2R)-2-amino-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one;dihydrochloride.
What is the SMILES notation for (2R)-2-amino-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one;dihydrochloride?
The canonical SMILES for (2R)-2-amino-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one;dihydrochloride is C[C@@H](N)C(=O)N1CCCC(c2nccs2)C1.Cl.Cl.
What is the InChIKey of (2R)-2-amino-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one;dihydrochloride?
The InChIKey is TZADZSKYIJQRTR-QMKDJUJBSA-N. The full InChI is InChI=1S/C11H17N3OS.2ClH/c1-8(12)11(15)14-5-2-3-9(7-14)10-13-4-6-16-10;;/h4,6,8-9H,2-3,5,7,12H2,1H3;2*1H/t8-,9?;;/m1../s1.
What are the key properties of (2R)-2-amino-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one;dihydrochloride?
(2R)-2-amino-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one;dihydrochloride has a molecular weight of 312.27 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one;dihydrochloride is sourced from PubChem (CID 119873434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).