(2S)-2-[methyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-N-(1,3-thiazol-2-yl)propanamide

C14H21N5O2S — CID 95136635

IUPAC(2S)-2-[methyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(C)Cc1noc(CN(C)[C@@H](C)C(=O)Nc2nccs2)n1
InChIInChI=1S/C14H21N5O2S/c1-9(2)7-11-16-12(21-18-11)8-19(4)10(3)13(20)17-14-15-5-6-22-14/h5-6,9-10H,7-8H2,1-4H3,(H,15,17,20)/t10-/m0/s1
InChIKeyQILKISCQORPVNE-JTQLQIEISA-N
MW323.42 g/mol
LogP2.18
Rot. Bonds7

About (2S)-2-[methyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-N-(1,3-thiazol-2-yl)propanamide

(2S)-2-[methyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 95136635) has the molecular formula C14H21N5O2S and a molecular weight of 323.42 g/mol. Its IUPAC name is (2S)-2-[methyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-[methyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-N-(1,3-thiazol-2-yl)propanamide
PubChem CID95136635
Molecular FormulaC14H21N5O2S
Molecular Weight323.42 g/mol
Exact Mass323.14
IUPAC Name(2S)-2-[methyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(C)Cc1noc(CN(C)[C@@H](C)C(=O)Nc2nccs2)n1
InChIInChI=1S/C14H21N5O2S/c1-9(2)7-11-16-12(21-18-11)8-19(4)10(3)13(20)17-14-15-5-6-22-14/h5-6,9-10H,7-8H2,1-4H3,(H,15,17,20)/t10-/m0/s1
InChIKeyQILKISCQORPVNE-JTQLQIEISA-N
XLogP2.18
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[methyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of (2S)-2-[methyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-N-(1,3-thiazol-2-yl)propanamide (CID 95136635) is (2S)-2-[methyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for (2S)-2-[methyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (2S)-2-[methyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-N-(1,3-thiazol-2-yl)propanamide is CC(C)Cc1noc(CN(C)[C@@H](C)C(=O)Nc2nccs2)n1.
What is the InChIKey of (2S)-2-[methyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is QILKISCQORPVNE-JTQLQIEISA-N. The full InChI is InChI=1S/C14H21N5O2S/c1-9(2)7-11-16-12(21-18-11)8-19(4)10(3)13(20)17-14-15-5-6-22-14/h5-6,9-10H,7-8H2,1-4H3,(H,15,17,20)/t10-/m0/s1.
What are the key properties of (2S)-2-[methyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-N-(1,3-thiazol-2-yl)propanamide?
(2S)-2-[methyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 323.42 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[methyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 95136635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).