2-methyl-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]propanamide

C14H24N4OS — CID 133354661

IUPAC2-methyl-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]propanamide
SMILESCC(C)C(=O)NC1CCCN(c2nc(C(C)C)ns2)C1
InChIInChI=1S/C14H24N4OS/c1-9(2)12-16-14(20-17-12)18-7-5-6-11(8-18)15-13(19)10(3)4/h9-11H,5-8H2,1-4H3,(H,15,19)
InChIKeyPQSWKRWYWOQKFK-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.40
Rot. Bonds4

About 2-methyl-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]propanamide

2-methyl-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]propanamide (PubChem CID 133354661) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-methyl-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]propanamide
PubChem CID133354661
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name2-methyl-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]propanamide
SMILESCC(C)C(=O)NC1CCCN(c2nc(C(C)C)ns2)C1
InChIInChI=1S/C14H24N4OS/c1-9(2)12-16-14(20-17-12)18-7-5-6-11(8-18)15-13(19)10(3)4/h9-11H,5-8H2,1-4H3,(H,15,19)
InChIKeyPQSWKRWYWOQKFK-UHFFFAOYSA-N
XLogP2.40
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]cyclobutanecarboxamide
CID 171335366
N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]butanamide
CID 133354809
1,5-dimethyl-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]pyrazole-3-carboxamide
CID 172900070
2-methyl-N-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]propanamide
CID 133354611
N-tert-butyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidine-3-carboxamide
CID 166602184
N-(3,5-dimethoxyphenyl)-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-amine
CID 133362371
N-[[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methyl]propan-1-amine
CID 65279975
5-[3-(difluoromethyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
CID 166600619
1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol
CID 106673285
N-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]butanamide
CID 71923656
N-[(3S)-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]butanamide
CID 97097853
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanone
CID 171992958

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]propanamide?
The IUPAC name of 2-methyl-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]propanamide (CID 133354661) is 2-methyl-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]propanamide?
The canonical SMILES for 2-methyl-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]propanamide is CC(C)C(=O)NC1CCCN(c2nc(C(C)C)ns2)C1.
What is the InChIKey of 2-methyl-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]propanamide?
The InChIKey is PQSWKRWYWOQKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-9(2)12-16-14(20-17-12)18-7-5-6-11(8-18)15-13(19)10(3)4/h9-11H,5-8H2,1-4H3,(H,15,19).
What are the key properties of 2-methyl-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]propanamide?
2-methyl-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]propanamide has a molecular weight of 296.44 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]propanamide is sourced from PubChem (CID 133354661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).