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

C14H21N5O2S — CID 124750567

IUPAC(2S)-2-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1csc(NC(=O)[C@H](C)N(C)Cc2noc(C(C)C)n2)n1
InChIInChI=1S/C14H21N5O2S/c1-8(2)13-16-11(18-21-13)6-19(5)10(4)12(20)17-14-15-9(3)7-22-14/h7-8,10H,6H2,1-5H3,(H,15,17,20)/t10-/m0/s1
InChIKeyDHVKCKXACSNCMY-JTQLQIEISA-N
MW323.42 g/mol
LogP2.42
Rot. Bonds6

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

(2S)-2-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide (PubChem CID 124750567) has the molecular formula C14H21N5O2S and a molecular weight of 323.42 g/mol. Its IUPAC name is (2S)-2-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
PubChem CID124750567
Molecular FormulaC14H21N5O2S
Molecular Weight323.42 g/mol
Exact Mass323.14
IUPAC Name(2S)-2-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1csc(NC(=O)[C@H](C)N(C)Cc2noc(C(C)C)n2)n1
InChIInChI=1S/C14H21N5O2S/c1-8(2)13-16-11(18-21-13)6-19(5)10(4)12(20)17-14-15-9(3)7-22-14/h7-8,10H,6H2,1-5H3,(H,15,17,20)/t10-/m0/s1
InChIKeyDHVKCKXACSNCMY-JTQLQIEISA-N
XLogP2.42
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of (2S)-2-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide (CID 124750567) is (2S)-2-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for (2S)-2-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (2S)-2-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide is Cc1csc(NC(=O)[C@H](C)N(C)Cc2noc(C(C)C)n2)n1.
What is the InChIKey of (2S)-2-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is DHVKCKXACSNCMY-JTQLQIEISA-N. The full InChI is InChI=1S/C14H21N5O2S/c1-8(2)13-16-11(18-21-13)6-19(5)10(4)12(20)17-14-15-9(3)7-22-14/h7-8,10H,6H2,1-5H3,(H,15,17,20)/t10-/m0/s1.
What are the key properties of (2S)-2-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
(2S)-2-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 323.42 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 124750567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).