1-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrazol-3-amine

C14H22N6S — CID 107110369

IUPAC1-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrazol-3-amine
SMILESCC(C)(C)c1nsc(N2CCC(n3ccc(N)n3)CC2)n1
InChIInChI=1S/C14H22N6S/c1-14(2,3)12-16-13(21-18-12)19-7-4-10(5-8-19)20-9-6-11(15)17-20/h6,9-10H,4-5,7-8H2,1-3H3,(H2,15,17)
InChIKeyATQMBXXCYDAWDL-UHFFFAOYSA-N
MW306.44 g/mol
LogP2.46
Rot. Bonds2

About 1-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrazol-3-amine

1-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrazol-3-amine (PubChem CID 107110369) has the molecular formula C14H22N6S and a molecular weight of 306.44 g/mol. Its IUPAC name is 1-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrazol-3-amine
PubChem CID107110369
Molecular FormulaC14H22N6S
Molecular Weight306.44 g/mol
Exact Mass306.16
IUPAC Name1-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrazol-3-amine
SMILESCC(C)(C)c1nsc(N2CCC(n3ccc(N)n3)CC2)n1
InChIInChI=1S/C14H22N6S/c1-14(2,3)12-16-13(21-18-12)19-7-4-10(5-8-19)20-9-6-11(15)17-20/h6,9-10H,4-5,7-8H2,1-3H3,(H2,15,17)
InChIKeyATQMBXXCYDAWDL-UHFFFAOYSA-N
XLogP2.46
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]pyrazol-3-amine
CID 107110500
5-(azetidin-1-yl)-3-tert-butyl-1,2,4-thiadiazole
CID 130611538
2-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]acetic acid
CID 79608252
1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]pyrazol-3-amine
CID 107110293
3-tert-butyl-5-[4-(oxan-4-yl)piperazin-1-yl]-1,2,4-thiadiazole
CID 133494087
1-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]ethanol
CID 112627776
3-tert-butyl-5-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-1,2,4-thiadiazole
CID 133493689
3-tert-butyl-5-(3-imidazol-1-yl-4-methylpiperidin-1-yl)-1,2,4-thiadiazole
CID 133494579
1-[1-(2-cyclopropylethyl)piperidin-4-yl]pyrazol-3-amine
CID 107109993
[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 133494977
methyl 2-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-2-hydroxyacetate
CID 133495038
3-tert-butyl-5-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-1,2,4-thiadiazole
CID 133493693

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrazol-3-amine?
The IUPAC name of 1-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrazol-3-amine (CID 107110369) is 1-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrazol-3-amine.
What is the SMILES notation for 1-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrazol-3-amine?
The canonical SMILES for 1-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrazol-3-amine is CC(C)(C)c1nsc(N2CCC(n3ccc(N)n3)CC2)n1.
What is the InChIKey of 1-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrazol-3-amine?
The InChIKey is ATQMBXXCYDAWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6S/c1-14(2,3)12-16-13(21-18-12)19-7-4-10(5-8-19)20-9-6-11(15)17-20/h6,9-10H,4-5,7-8H2,1-3H3,(H2,15,17).
What are the key properties of 1-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrazol-3-amine?
1-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrazol-3-amine has a molecular weight of 306.44 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrazol-3-amine is sourced from PubChem (CID 107110369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).