(2S)-2-piperidin-1-yl-N-(1,3-thiazol-2-yl)propanamide

C11H17N3OS — CID 40932668

IUPAC(2S)-2-piperidin-1-yl-N-(1,3-thiazol-2-yl)propanamide
SMILESC[C@@H](C(=O)Nc1nccs1)N1CCCCC1
InChIInChI=1S/C11H17N3OS/c1-9(14-6-3-2-4-7-14)10(15)13-11-12-5-8-16-11/h5,8-9H,2-4,6-7H2,1H3,(H,12,13,15)/t9-/m0/s1
InChIKeyIAKYTPIAKQVLMH-VIFPVBQESA-N
MW239.34 g/mol
LogP1.96
Rot. Bonds3

About (2S)-2-piperidin-1-yl-N-(1,3-thiazol-2-yl)propanamide

(2S)-2-piperidin-1-yl-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 40932668) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is (2S)-2-piperidin-1-yl-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-piperidin-1-yl-N-(1,3-thiazol-2-yl)propanamide
PubChem CID40932668
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name(2S)-2-piperidin-1-yl-N-(1,3-thiazol-2-yl)propanamide
SMILESC[C@@H](C(=O)Nc1nccs1)N1CCCCC1
InChIInChI=1S/C11H17N3OS/c1-9(14-6-3-2-4-7-14)10(15)13-11-12-5-8-16-11/h5,8-9H,2-4,6-7H2,1H3,(H,12,13,15)/t9-/m0/s1
InChIKeyIAKYTPIAKQVLMH-VIFPVBQESA-N
XLogP1.96
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyclopentyl-1,4-diazepan-1-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 167773947
(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 41312846
(2S)-2-[4-(pyrimidin-2-ylamino)piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 95144394
2-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 50960716
(2S)-2-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 97313518
(2S)-2-[4-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 124757710
(2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 40932948
(2R)-2-pyrazol-1-yl-N-(1,3-thiazol-2-yl)propanamide
CID 35503683
2-[4-(2-phenylsulfanylethyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 47055938
(2S)-2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 95780126
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 55541544
N-(1,3-thiazol-2-yl)-2-[4-([1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperazin-1-yl]propanamide
CID 91831881

Frequently Asked Questions

What is the IUPAC name of (2S)-2-piperidin-1-yl-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of (2S)-2-piperidin-1-yl-N-(1,3-thiazol-2-yl)propanamide (CID 40932668) is (2S)-2-piperidin-1-yl-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for (2S)-2-piperidin-1-yl-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (2S)-2-piperidin-1-yl-N-(1,3-thiazol-2-yl)propanamide is C[C@@H](C(=O)Nc1nccs1)N1CCCCC1.
What is the InChIKey of (2S)-2-piperidin-1-yl-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is IAKYTPIAKQVLMH-VIFPVBQESA-N. The full InChI is InChI=1S/C11H17N3OS/c1-9(14-6-3-2-4-7-14)10(15)13-11-12-5-8-16-11/h5,8-9H,2-4,6-7H2,1H3,(H,12,13,15)/t9-/m0/s1.
What are the key properties of (2S)-2-piperidin-1-yl-N-(1,3-thiazol-2-yl)propanamide?
(2S)-2-piperidin-1-yl-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 239.34 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-piperidin-1-yl-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 40932668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).