2-[(3R)-3-aminopiperidin-1-yl]-5-(pyridin-2-ylamino)-1,3-thiazole-4-carbonitrile

C14H16N6S — CID 90220317

IUPAC2-[(3R)-3-aminopiperidin-1-yl]-5-(pyridin-2-ylamino)-1,3-thiazole-4-carbonitrile
SMILESN#Cc1nc(N2CCC[C@@H](N)C2)sc1Nc1ccccn1
InChIInChI=1S/C14H16N6S/c15-8-11-13(19-12-5-1-2-6-17-12)21-14(18-11)20-7-3-4-10(16)9-20/h1-2,5-6,10H,3-4,7,9,16H2,(H,17,19)/t10-/m1/s1
InChIKeyDRHMUAUPWDDCPR-SNVBAGLBSA-N
MW300.39 g/mol
LogP2.08
Rot. Bonds3

About 2-[(3R)-3-aminopiperidin-1-yl]-5-(pyridin-2-ylamino)-1,3-thiazole-4-carbonitrile

2-[(3R)-3-aminopiperidin-1-yl]-5-(pyridin-2-ylamino)-1,3-thiazole-4-carbonitrile (PubChem CID 90220317) has the molecular formula C14H16N6S and a molecular weight of 300.39 g/mol. Its IUPAC name is 2-[(3R)-3-aminopiperidin-1-yl]-5-(pyridin-2-ylamino)-1,3-thiazole-4-carbonitrile.

Molecular Properties

Compound Name2-[(3R)-3-aminopiperidin-1-yl]-5-(pyridin-2-ylamino)-1,3-thiazole-4-carbonitrile
PubChem CID90220317
Molecular FormulaC14H16N6S
Molecular Weight300.39 g/mol
Exact Mass300.12
IUPAC Name2-[(3R)-3-aminopiperidin-1-yl]-5-(pyridin-2-ylamino)-1,3-thiazole-4-carbonitrile
SMILESN#Cc1nc(N2CCC[C@@H](N)C2)sc1Nc1ccccn1
InChIInChI=1S/C14H16N6S/c15-8-11-13(19-12-5-1-2-6-17-12)21-14(18-11)20-7-3-4-10(16)9-20/h1-2,5-6,10H,3-4,7,9,16H2,(H,17,19)/t10-/m1/s1
InChIKeyDRHMUAUPWDDCPR-SNVBAGLBSA-N
XLogP2.08
TPSA90.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-aminopiperidin-1-yl]-5-(pyridin-2-ylamino)-1,3-thiazole-4-carbonitrile?
The IUPAC name of 2-[(3R)-3-aminopiperidin-1-yl]-5-(pyridin-2-ylamino)-1,3-thiazole-4-carbonitrile (CID 90220317) is 2-[(3R)-3-aminopiperidin-1-yl]-5-(pyridin-2-ylamino)-1,3-thiazole-4-carbonitrile.
What is the SMILES notation for 2-[(3R)-3-aminopiperidin-1-yl]-5-(pyridin-2-ylamino)-1,3-thiazole-4-carbonitrile?
The canonical SMILES for 2-[(3R)-3-aminopiperidin-1-yl]-5-(pyridin-2-ylamino)-1,3-thiazole-4-carbonitrile is N#Cc1nc(N2CCC[C@@H](N)C2)sc1Nc1ccccn1.
What is the InChIKey of 2-[(3R)-3-aminopiperidin-1-yl]-5-(pyridin-2-ylamino)-1,3-thiazole-4-carbonitrile?
The InChIKey is DRHMUAUPWDDCPR-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H16N6S/c15-8-11-13(19-12-5-1-2-6-17-12)21-14(18-11)20-7-3-4-10(16)9-20/h1-2,5-6,10H,3-4,7,9,16H2,(H,17,19)/t10-/m1/s1.
What are the key properties of 2-[(3R)-3-aminopiperidin-1-yl]-5-(pyridin-2-ylamino)-1,3-thiazole-4-carbonitrile?
2-[(3R)-3-aminopiperidin-1-yl]-5-(pyridin-2-ylamino)-1,3-thiazole-4-carbonitrile has a molecular weight of 300.39 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-aminopiperidin-1-yl]-5-(pyridin-2-ylamino)-1,3-thiazole-4-carbonitrile is sourced from PubChem (CID 90220317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).