3-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-1-carboxamide

C12H21N5OS — CID 133484820

IUPAC3-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-1-carboxamide
SMILESCC(C)Cc1nsc(NC2CCCN(C(N)=O)C2)n1
InChIInChI=1S/C12H21N5OS/c1-8(2)6-10-15-12(19-16-10)14-9-4-3-5-17(7-9)11(13)18/h8-9H,3-7H2,1-2H3,(H2,13,18)(H,14,15,16)
InChIKeyGRRNSKLCFWMZHN-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.69
Rot. Bonds4

About 3-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-1-carboxamide

3-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-1-carboxamide (PubChem CID 133484820) has the molecular formula C12H21N5OS and a molecular weight of 283.40 g/mol. Its IUPAC name is 3-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-1-carboxamide
PubChem CID133484820
Molecular FormulaC12H21N5OS
Molecular Weight283.40 g/mol
Exact Mass283.15
IUPAC Name3-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-1-carboxamide
SMILESCC(C)Cc1nsc(NC2CCCN(C(N)=O)C2)n1
InChIInChI=1S/C12H21N5OS/c1-8(2)6-10-15-12(19-16-10)14-9-4-3-5-17(7-9)11(13)18/h8-9H,3-7H2,1-2H3,(H2,13,18)(H,14,15,16)
InChIKeyGRRNSKLCFWMZHN-UHFFFAOYSA-N
XLogP1.69
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxamide
CID 86788817
(3-aminopyrazin-2-yl)-[3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]azocan-1-yl]methanone
CID 138007611
methyl N-[2-[3-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]azocan-1-yl]-2-oxoethyl]carbamate
CID 138007596
N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
CID 133491003
methyl (3S)-3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate
CID 97319865
cyclopentyl-[3-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]pyrrolidin-1-yl]methanone
CID 133366768
2-[1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]acetamide
CID 133485154
1-[3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-1-yl]propan-1-one
CID 133366605
3-[[2-(methoxymethyl)pyrimidin-4-yl]amino]piperidine-1-carboxamide
CID 138022710
3-[(4-bromo-1,3-thiazol-2-yl)amino]pyrrolidine-1-carboxamide
CID 130979775
N-(1-methylpiperidin-3-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 114165463
1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-2-carboxylic acid
CID 122058781

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-1-carboxamide?
The IUPAC name of 3-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-1-carboxamide (CID 133484820) is 3-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-1-carboxamide.
What is the SMILES notation for 3-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-1-carboxamide?
The canonical SMILES for 3-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-1-carboxamide is CC(C)Cc1nsc(NC2CCCN(C(N)=O)C2)n1.
What is the InChIKey of 3-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-1-carboxamide?
The InChIKey is GRRNSKLCFWMZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5OS/c1-8(2)6-10-15-12(19-16-10)14-9-4-3-5-17(7-9)11(13)18/h8-9H,3-7H2,1-2H3,(H2,13,18)(H,14,15,16).
What are the key properties of 3-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-1-carboxamide?
3-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-1-carboxamide has a molecular weight of 283.40 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-1-carboxamide is sourced from PubChem (CID 133484820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).