(2R)-2-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide

C12H20N4OS — CID 119830474

IUPAC(2R)-2-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide
SMILESC[C@@H](N)C(=O)Nc1nc(CN2CCCCC2)cs1
InChIInChI=1S/C12H20N4OS/c1-9(13)11(17)15-12-14-10(8-18-12)7-16-5-3-2-4-6-16/h8-9H,2-7,13H2,1H3,(H,14,15,17)/t9-/m1/s1
InChIKeyWWVRBTJGFHPNCO-SECBINFHSA-N
MW268.39 g/mol
LogP1.41
Rot. Bonds4

About (2R)-2-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide

(2R)-2-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 119830474) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is (2R)-2-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide
PubChem CID119830474
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name(2R)-2-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide
SMILESC[C@@H](N)C(=O)Nc1nc(CN2CCCCC2)cs1
InChIInChI=1S/C12H20N4OS/c1-9(13)11(17)15-12-14-10(8-18-12)7-16-5-3-2-4-6-16/h8-9H,2-7,13H2,1H3,(H,14,15,17)/t9-/m1/s1
InChIKeyWWVRBTJGFHPNCO-SECBINFHSA-N
XLogP1.41
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide;dihydrochloride
CID 119830551
(2S)-2-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide;dihydrochloride
CID 119831183
2-amino-2-(4-methylphenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide;dihydrochloride
CID 120669325
1-(2-methylpropanoyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 33210791
1-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
CID 120606542
(2R)-2-amino-N-(4-propyl-1,3-thiazol-2-yl)propanamide
CID 120873882
benzyl N-[(2S,3S)-3-methyl-1-oxo-1-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]amino]pentan-2-yl]carbamate
CID 55943253
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 40820824
N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 75498849
4-methoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30182781
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide
CID 30182797
2-hydroxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 134051886

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of (2R)-2-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide (CID 119830474) is (2R)-2-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide is C[C@@H](N)C(=O)Nc1nc(CN2CCCCC2)cs1.
What is the InChIKey of (2R)-2-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is WWVRBTJGFHPNCO-SECBINFHSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-9(13)11(17)15-12-14-10(8-18-12)7-16-5-3-2-4-6-16/h8-9H,2-7,13H2,1H3,(H,14,15,17)/t9-/m1/s1.
What are the key properties of (2R)-2-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide?
(2R)-2-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 268.39 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 119830474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).