(2R)-1-[1-[4-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]piperidine-4-carbonyl]pyrrolidine-2-carbonitrile

C20H23N5OS — CID 118450550

IUPAC(2R)-1-[1-[4-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]piperidine-4-carbonyl]pyrrolidine-2-carbonitrile
SMILESCc1cnc(-c2ccncc2N2CCC(C(=O)N3CCC[C@@H]3C#N)CC2)s1
InChIInChI=1S/C20H23N5OS/c1-14-12-23-19(27-14)17-4-7-22-13-18(17)24-9-5-15(6-10-24)20(26)25-8-2-3-16(25)11-21/h4,7,12-13,15-16H,2-3,5-6,8-10H2,1H3/t16-/m1/s1
InChIKeyATHASDVIFGPXQL-MRXNPFEDSA-N
MW381.51 g/mol
LogP3.24
Rot. Bonds3

About (2R)-1-[1-[4-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]piperidine-4-carbonyl]pyrrolidine-2-carbonitrile

(2R)-1-[1-[4-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]piperidine-4-carbonyl]pyrrolidine-2-carbonitrile (PubChem CID 118450550) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is (2R)-1-[1-[4-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]piperidine-4-carbonyl]pyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name(2R)-1-[1-[4-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]piperidine-4-carbonyl]pyrrolidine-2-carbonitrile
PubChem CID118450550
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC Name(2R)-1-[1-[4-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]piperidine-4-carbonyl]pyrrolidine-2-carbonitrile
SMILESCc1cnc(-c2ccncc2N2CCC(C(=O)N3CCC[C@@H]3C#N)CC2)s1
InChIInChI=1S/C20H23N5OS/c1-14-12-23-19(27-14)17-4-7-22-13-18(17)24-9-5-15(6-10-24)20(26)25-8-2-3-16(25)11-21/h4,7,12-13,15-16H,2-3,5-6,8-10H2,1H3/t16-/m1/s1
InChIKeyATHASDVIFGPXQL-MRXNPFEDSA-N
XLogP3.24
TPSA73.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[1-[4-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]piperidine-4-carbonyl]pyrrolidine-2-carbonitrile?
The IUPAC name of (2R)-1-[1-[4-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]piperidine-4-carbonyl]pyrrolidine-2-carbonitrile (CID 118450550) is (2R)-1-[1-[4-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]piperidine-4-carbonyl]pyrrolidine-2-carbonitrile.
What is the SMILES notation for (2R)-1-[1-[4-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]piperidine-4-carbonyl]pyrrolidine-2-carbonitrile?
The canonical SMILES for (2R)-1-[1-[4-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]piperidine-4-carbonyl]pyrrolidine-2-carbonitrile is Cc1cnc(-c2ccncc2N2CCC(C(=O)N3CCC[C@@H]3C#N)CC2)s1.
What is the InChIKey of (2R)-1-[1-[4-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]piperidine-4-carbonyl]pyrrolidine-2-carbonitrile?
The InChIKey is ATHASDVIFGPXQL-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H23N5OS/c1-14-12-23-19(27-14)17-4-7-22-13-18(17)24-9-5-15(6-10-24)20(26)25-8-2-3-16(25)11-21/h4,7,12-13,15-16H,2-3,5-6,8-10H2,1H3/t16-/m1/s1.
What are the key properties of (2R)-1-[1-[4-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]piperidine-4-carbonyl]pyrrolidine-2-carbonitrile?
(2R)-1-[1-[4-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]piperidine-4-carbonyl]pyrrolidine-2-carbonitrile has a molecular weight of 381.51 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[1-[4-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]piperidine-4-carbonyl]pyrrolidine-2-carbonitrile is sourced from PubChem (CID 118450550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).