(2R,6R)-N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-2,6-dimethylpiperazine-1-carboxamide

C24H26N6OS — CID 169002941

IUPAC(2R,6R)-N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-2,6-dimethylpiperazine-1-carboxamide
SMILESCc1cc(-c2sc(NC(=O)N3[C@H](C)CNC[C@H]3C)nc2-c2cccc(C#N)c2)cc(C)n1
InChIInChI=1S/C24H26N6OS/c1-14-8-20(9-15(2)27-14)22-21(19-7-5-6-18(10-19)11-25)28-23(32-22)29-24(31)30-16(3)12-26-13-17(30)4/h5-10,16-17,26H,12-13H2,1-4H3,(H,28,29,31)/t16-,17-/m1/s1
InChIKeyBLSWJNCQZDJTAV-IAGOWNOFSA-N
MW446.58 g/mol
LogP4.57
Rot. Bonds3

About (2R,6R)-N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-2,6-dimethylpiperazine-1-carboxamide

(2R,6R)-N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-2,6-dimethylpiperazine-1-carboxamide (PubChem CID 169002941) has the molecular formula C24H26N6OS and a molecular weight of 446.58 g/mol. Its IUPAC name is (2R,6R)-N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-2,6-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name(2R,6R)-N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-2,6-dimethylpiperazine-1-carboxamide
PubChem CID169002941
Molecular FormulaC24H26N6OS
Molecular Weight446.58 g/mol
Exact Mass446.19
IUPAC Name(2R,6R)-N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-2,6-dimethylpiperazine-1-carboxamide
SMILESCc1cc(-c2sc(NC(=O)N3[C@H](C)CNC[C@H]3C)nc2-c2cccc(C#N)c2)cc(C)n1
InChIInChI=1S/C24H26N6OS/c1-14-8-20(9-15(2)27-14)22-21(19-7-5-6-18(10-19)11-25)28-23(32-22)29-24(31)30-16(3)12-26-13-17(30)4/h5-10,16-17,26H,12-13H2,1-4H3,(H,28,29,31)/t16-,17-/m1/s1
InChIKeyBLSWJNCQZDJTAV-IAGOWNOFSA-N
XLogP4.57
TPSA93.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.58
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,6R)-N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-2,6-dimethylpiperazine-1-carboxamide?
The IUPAC name of (2R,6R)-N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-2,6-dimethylpiperazine-1-carboxamide (CID 169002941) is (2R,6R)-N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-2,6-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for (2R,6R)-N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-2,6-dimethylpiperazine-1-carboxamide?
The canonical SMILES for (2R,6R)-N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-2,6-dimethylpiperazine-1-carboxamide is Cc1cc(-c2sc(NC(=O)N3[C@H](C)CNC[C@H]3C)nc2-c2cccc(C#N)c2)cc(C)n1.
What is the InChIKey of (2R,6R)-N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-2,6-dimethylpiperazine-1-carboxamide?
The InChIKey is BLSWJNCQZDJTAV-IAGOWNOFSA-N. The full InChI is InChI=1S/C24H26N6OS/c1-14-8-20(9-15(2)27-14)22-21(19-7-5-6-18(10-19)11-25)28-23(32-22)29-24(31)30-16(3)12-26-13-17(30)4/h5-10,16-17,26H,12-13H2,1-4H3,(H,28,29,31)/t16-,17-/m1/s1.
What are the key properties of (2R,6R)-N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-2,6-dimethylpiperazine-1-carboxamide?
(2R,6R)-N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-2,6-dimethylpiperazine-1-carboxamide has a molecular weight of 446.58 g/mol, XLogP of 4.57, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-2,6-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 169002941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).