(2S)-2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide

C16H21N5O2S — CID 95780126

IUPAC(2S)-2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
SMILESC[C@@H](C(=O)Nc1nccs1)N1CCC[C@H](c2noc(C3CC3)n2)C1
InChIInChI=1S/C16H21N5O2S/c1-10(14(22)19-16-17-6-8-24-16)21-7-2-3-12(9-21)13-18-15(23-20-13)11-4-5-11/h6,8,10-12H,2-5,7,9H2,1H3,(H,17,19,22)/t10-,12-/m0/s1
InChIKeyVDFSHLIZOJBYBY-JQWIXIFHSA-N
MW347.44 g/mol
LogP2.61
Rot. Bonds5

About (2S)-2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide

(2S)-2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 95780126) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is (2S)-2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
PubChem CID95780126
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC Name(2S)-2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
SMILESC[C@@H](C(=O)Nc1nccs1)N1CCC[C@H](c2noc(C3CC3)n2)C1
InChIInChI=1S/C16H21N5O2S/c1-10(14(22)19-16-17-6-8-24-16)21-7-2-3-12(9-21)13-18-15(23-20-13)11-4-5-11/h6,8,10-12H,2-5,7,9H2,1H3,(H,17,19,22)/t10-,12-/m0/s1
InChIKeyVDFSHLIZOJBYBY-JQWIXIFHSA-N
XLogP2.61
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-N-cyclopentyl-2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propanamide
CID 95780048
(2R)-2-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 100837496
(2S)-2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N,N-dimethylpropanamide
CID 95780548
(2S)-2-piperidin-1-yl-N-(1,3-thiazol-2-yl)propanamide
CID 40932668
2-(4-cyclopentyl-1,4-diazepan-1-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 167773947
(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
(2R)-2-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 129426812
2-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 71928098
(2R)-2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 98791286
(2S)-2-[4-(pyrimidin-2-ylamino)piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 95144394
(2S)-2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 100842922
(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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of (2S)-2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide (CID 95780126) is (2S)-2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for (2S)-2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (2S)-2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide is C[C@@H](C(=O)Nc1nccs1)N1CCC[C@H](c2noc(C3CC3)n2)C1.
What is the InChIKey of (2S)-2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is VDFSHLIZOJBYBY-JQWIXIFHSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-10(14(22)19-16-17-6-8-24-16)21-7-2-3-12(9-21)13-18-15(23-20-13)11-4-5-11/h6,8,10-12H,2-5,7,9H2,1H3,(H,17,19,22)/t10-,12-/m0/s1.
What are the key properties of (2S)-2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
(2S)-2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 347.44 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 95780126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).