3-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-propan-2-ylpiperazine-1-carboxamide

C12H21N5OS — CID 46988825

IUPAC3-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-propan-2-ylpiperazine-1-carboxamide
SMILESCc1nsc(NC(=O)N2CCN(C(C)C)C(C)C2)n1
InChIInChI=1S/C12H21N5OS/c1-8(2)17-6-5-16(7-9(17)3)12(18)14-11-13-10(4)15-19-11/h8-9H,5-7H2,1-4H3,(H,13,14,15,18)
InChIKeyBOFNCYZXERKCND-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.79
Rot. Bonds2

About 3-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-propan-2-ylpiperazine-1-carboxamide

3-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-propan-2-ylpiperazine-1-carboxamide (PubChem CID 46988825) has the molecular formula C12H21N5OS and a molecular weight of 283.40 g/mol. Its IUPAC name is 3-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-propan-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-propan-2-ylpiperazine-1-carboxamide
PubChem CID46988825
Molecular FormulaC12H21N5OS
Molecular Weight283.40 g/mol
Exact Mass283.15
IUPAC Name3-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-propan-2-ylpiperazine-1-carboxamide
SMILESCc1nsc(NC(=O)N2CCN(C(C)C)C(C)C2)n1
InChIInChI=1S/C12H21N5OS/c1-8(2)17-6-5-16(7-9(17)3)12(18)14-11-13-10(4)15-19-11/h8-9H,5-7H2,1-4H3,(H,13,14,15,18)
InChIKeyBOFNCYZXERKCND-UHFFFAOYSA-N
XLogP1.79
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-methylpiperidin-3-yl)-N'-(3-methyl-1,2,4-thiadiazol-5-yl)urea
CID 46990307
1-(1-Methylpiperidin-4-yl)-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea
CID 47000263
4-amino-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 50968784
2-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide
CID 50977048
(2R)-2-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one
CID 75496009
3-[(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxamide
CID 75520974
N-[(3S)-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]butanamide
CID 96567409
(3S)-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxamide
CID 97823064
4-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46990975
4,4-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46998569
N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 136518608
4-cyclohexyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide
CID 46984306

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-propan-2-ylpiperazine-1-carboxamide?
The IUPAC name of 3-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-propan-2-ylpiperazine-1-carboxamide (CID 46988825) is 3-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-propan-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for 3-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-propan-2-ylpiperazine-1-carboxamide?
The canonical SMILES for 3-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-propan-2-ylpiperazine-1-carboxamide is Cc1nsc(NC(=O)N2CCN(C(C)C)C(C)C2)n1.
What is the InChIKey of 3-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-propan-2-ylpiperazine-1-carboxamide?
The InChIKey is BOFNCYZXERKCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5OS/c1-8(2)17-6-5-16(7-9(17)3)12(18)14-11-13-10(4)15-19-11/h8-9H,5-7H2,1-4H3,(H,13,14,15,18).
What are the key properties of 3-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-propan-2-ylpiperazine-1-carboxamide?
3-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-propan-2-ylpiperazine-1-carboxamide has a molecular weight of 283.40 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-propan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 46988825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).