[4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone

C16H22N6OS — CID 86801703

IUPAC[4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESCC(C)(C)c1nsc(NC2CCN(C(=O)c3cnccn3)CC2)n1
InChIInChI=1S/C16H22N6OS/c1-16(2,3)14-20-15(24-21-14)19-11-4-8-22(9-5-11)13(23)12-10-17-6-7-18-12/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,19,20,21)
InChIKeyFYWIVLNJVQNBAN-UHFFFAOYSA-N
MW346.46 g/mol
LogP2.34
Rot. Bonds3

About [4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone

[4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 86801703) has the molecular formula C16H22N6OS and a molecular weight of 346.46 g/mol. Its IUPAC name is [4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID86801703
Molecular FormulaC16H22N6OS
Molecular Weight346.46 g/mol
Exact Mass346.16
IUPAC Name[4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESCC(C)(C)c1nsc(NC2CCN(C(=O)c3cnccn3)CC2)n1
InChIInChI=1S/C16H22N6OS/c1-16(2,3)14-20-15(24-21-14)19-11-4-8-22(9-5-11)13(23)12-10-17-6-7-18-12/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,19,20,21)
InChIKeyFYWIVLNJVQNBAN-UHFFFAOYSA-N
XLogP2.34
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone with MolForge

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Related Compounds

2,2-dimethyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]propanamide
CID 110821253
4-tert-butyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide
CID 108554177
4-tert-butyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 108566849
[4-[(4-methoxycyclohexyl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 165419586
N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]cyclopentanecarboxamide
CID 110821254
4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol
CID 65272477
1-[4-[4-(pyrazine-2-carbonyl)-1,4-diazepane-1-carbonyl]piperidin-1-yl]ethanone
CID 110816085
(4-propan-2-yloxypiperidin-1-yl)-pyrazin-2-ylmethanone
CID 110744031
4-methoxy-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide
CID 110821265
[4-(2-hydroxyethyl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 121200756
3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxylic acid
CID 65270882
3-chloro-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]propanamide
CID 108566868

Frequently Asked Questions

What is the IUPAC name of [4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone (CID 86801703) is [4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone is CC(C)(C)c1nsc(NC2CCN(C(=O)c3cnccn3)CC2)n1.
What is the InChIKey of [4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is FYWIVLNJVQNBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6OS/c1-16(2,3)14-20-15(24-21-14)19-11-4-8-22(9-5-11)13(23)12-10-17-6-7-18-12/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,19,20,21).
What are the key properties of [4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone?
[4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 346.46 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 86801703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).