5-[(2R,3R)-3-(dimethylcarbamoylamino)-2-methylpiperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide

C18H26N8O2S — CID 118114866

IUPAC5-[(2R,3R)-3-(dimethylcarbamoylamino)-2-methylpiperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide
SMILESCc1cc(Nc2nc(N3CCC[C@@H](NC(=O)N(C)C)[C@H]3C)cnc2C(N)=O)sn1
InChIInChI=1S/C18H26N8O2S/c1-10-8-14(29-24-10)23-17-15(16(19)27)20-9-13(22-17)26-7-5-6-12(11(26)2)21-18(28)25(3)4/h8-9,11-12H,5-7H2,1-4H3,(H2,19,27)(H,21,28)(H,22,23)/t11-,12-/m1/s1
InChIKeyIQBNYZLVGAFZIF-VXGBXAGGSA-N
MW418.53 g/mol
LogP1.71
Rot. Bonds5

About 5-[(2R,3R)-3-(dimethylcarbamoylamino)-2-methylpiperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide

5-[(2R,3R)-3-(dimethylcarbamoylamino)-2-methylpiperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide (PubChem CID 118114866) has the molecular formula C18H26N8O2S and a molecular weight of 418.53 g/mol. Its IUPAC name is 5-[(2R,3R)-3-(dimethylcarbamoylamino)-2-methylpiperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(2R,3R)-3-(dimethylcarbamoylamino)-2-methylpiperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide
PubChem CID118114866
Molecular FormulaC18H26N8O2S
Molecular Weight418.53 g/mol
Exact Mass418.19
IUPAC Name5-[(2R,3R)-3-(dimethylcarbamoylamino)-2-methylpiperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide
SMILESCc1cc(Nc2nc(N3CCC[C@@H](NC(=O)N(C)C)[C@H]3C)cnc2C(N)=O)sn1
InChIInChI=1S/C18H26N8O2S/c1-10-8-14(29-24-10)23-17-15(16(19)27)20-9-13(22-17)26-7-5-6-12(11(26)2)21-18(28)25(3)4/h8-9,11-12H,5-7H2,1-4H3,(H2,19,27)(H,21,28)(H,22,23)/t11-,12-/m1/s1
InChIKeyIQBNYZLVGAFZIF-VXGBXAGGSA-N
XLogP1.71
TPSA129.37 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.53
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R,3R)-3-(dimethylcarbamoylamino)-2-methylpiperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide?
The IUPAC name of 5-[(2R,3R)-3-(dimethylcarbamoylamino)-2-methylpiperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide (CID 118114866) is 5-[(2R,3R)-3-(dimethylcarbamoylamino)-2-methylpiperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide.
What is the SMILES notation for 5-[(2R,3R)-3-(dimethylcarbamoylamino)-2-methylpiperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide?
The canonical SMILES for 5-[(2R,3R)-3-(dimethylcarbamoylamino)-2-methylpiperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide is Cc1cc(Nc2nc(N3CCC[C@@H](NC(=O)N(C)C)[C@H]3C)cnc2C(N)=O)sn1.
What is the InChIKey of 5-[(2R,3R)-3-(dimethylcarbamoylamino)-2-methylpiperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide?
The InChIKey is IQBNYZLVGAFZIF-VXGBXAGGSA-N. The full InChI is InChI=1S/C18H26N8O2S/c1-10-8-14(29-24-10)23-17-15(16(19)27)20-9-13(22-17)26-7-5-6-12(11(26)2)21-18(28)25(3)4/h8-9,11-12H,5-7H2,1-4H3,(H2,19,27)(H,21,28)(H,22,23)/t11-,12-/m1/s1.
What are the key properties of 5-[(2R,3R)-3-(dimethylcarbamoylamino)-2-methylpiperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide?
5-[(2R,3R)-3-(dimethylcarbamoylamino)-2-methylpiperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide has a molecular weight of 418.53 g/mol, XLogP of 1.71, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,3R)-3-(dimethylcarbamoylamino)-2-methylpiperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide is sourced from PubChem (CID 118114866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).