(2S)-N-(2-methylbutan-2-yl)-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanamide

C15H27N5OS — CID 96569510

IUPAC(2S)-N-(2-methylbutan-2-yl)-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanamide
SMILESCCC(C)(C)NC(=O)[C@H](C)N1CCN(c2nc(C)ns2)CC1
InChIInChI=1S/C15H27N5OS/c1-6-15(4,5)17-13(21)11(2)19-7-9-20(10-8-19)14-16-12(3)18-22-14/h11H,6-10H2,1-5H3,(H,17,21)/t11-/m0/s1
InChIKeyNHAZUIFCGAQGNJ-NSHDSACASA-N
MW325.48 g/mol
LogP1.66
Rot. Bonds5

About (2S)-N-(2-methylbutan-2-yl)-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanamide

(2S)-N-(2-methylbutan-2-yl)-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanamide (PubChem CID 96569510) has the molecular formula C15H27N5OS and a molecular weight of 325.48 g/mol. Its IUPAC name is (2S)-N-(2-methylbutan-2-yl)-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(2-methylbutan-2-yl)-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanamide
PubChem CID96569510
Molecular FormulaC15H27N5OS
Molecular Weight325.48 g/mol
Exact Mass325.19
IUPAC Name(2S)-N-(2-methylbutan-2-yl)-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanamide
SMILESCCC(C)(C)NC(=O)[C@H](C)N1CCN(c2nc(C)ns2)CC1
InChIInChI=1S/C15H27N5OS/c1-6-15(4,5)17-13(21)11(2)19-7-9-20(10-8-19)14-16-12(3)18-22-14/h11H,6-10H2,1-5H3,(H,17,21)/t11-/m0/s1
InChIKeyNHAZUIFCGAQGNJ-NSHDSACASA-N
XLogP1.66
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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2-[4-(aminomethyl)piperidin-1-yl]-N-(2-methylbutan-2-yl)propanamide
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CID 133332964
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-methylbutan-2-yl)propanamide
CID 74628799
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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-methylbutan-2-yl)-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanamide?
The IUPAC name of (2S)-N-(2-methylbutan-2-yl)-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanamide (CID 96569510) is (2S)-N-(2-methylbutan-2-yl)-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(2-methylbutan-2-yl)-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanamide?
The canonical SMILES for (2S)-N-(2-methylbutan-2-yl)-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanamide is CCC(C)(C)NC(=O)[C@H](C)N1CCN(c2nc(C)ns2)CC1.
What is the InChIKey of (2S)-N-(2-methylbutan-2-yl)-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanamide?
The InChIKey is NHAZUIFCGAQGNJ-NSHDSACASA-N. The full InChI is InChI=1S/C15H27N5OS/c1-6-15(4,5)17-13(21)11(2)19-7-9-20(10-8-19)14-16-12(3)18-22-14/h11H,6-10H2,1-5H3,(H,17,21)/t11-/m0/s1.
What are the key properties of (2S)-N-(2-methylbutan-2-yl)-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanamide?
(2S)-N-(2-methylbutan-2-yl)-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanamide has a molecular weight of 325.48 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-methylbutan-2-yl)-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanamide is sourced from PubChem (CID 96569510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).