3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-[3-(piperidine-4-carbonylamino)piperidin-1-yl]pyrazine-2-carboxamide

C20H28N8O2S — CID 154680874

IUPAC3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-[3-(piperidine-4-carbonylamino)piperidin-1-yl]pyrazine-2-carboxamide
SMILESCc1cc(Nc2nc(N3CCCC(NC(=O)C4CCNCC4)C3)cnc2C(N)=O)sn1
InChIInChI=1S/C20H28N8O2S/c1-12-9-16(31-27-12)26-19-17(18(21)29)23-10-15(25-19)28-8-2-3-14(11-28)24-20(30)13-4-6-22-7-5-13/h9-10,13-14,22H,2-8,11H2,1H3,(H2,21,29)(H,24,30)(H,25,26)
InChIKeyRQVBLZOPKCDABJ-UHFFFAOYSA-N
MW444.57 g/mol
LogP1.17
Rot. Bonds6

About 3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-[3-(piperidine-4-carbonylamino)piperidin-1-yl]pyrazine-2-carboxamide

3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-[3-(piperidine-4-carbonylamino)piperidin-1-yl]pyrazine-2-carboxamide (PubChem CID 154680874) has the molecular formula C20H28N8O2S and a molecular weight of 444.57 g/mol. Its IUPAC name is 3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-[3-(piperidine-4-carbonylamino)piperidin-1-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-[3-(piperidine-4-carbonylamino)piperidin-1-yl]pyrazine-2-carboxamide
PubChem CID154680874
Molecular FormulaC20H28N8O2S
Molecular Weight444.57 g/mol
Exact Mass444.21
IUPAC Name3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-[3-(piperidine-4-carbonylamino)piperidin-1-yl]pyrazine-2-carboxamide
SMILESCc1cc(Nc2nc(N3CCCC(NC(=O)C4CCNCC4)C3)cnc2C(N)=O)sn1
InChIInChI=1S/C20H28N8O2S/c1-12-9-16(31-27-12)26-19-17(18(21)29)23-10-15(25-19)28-8-2-3-14(11-28)24-20(30)13-4-6-22-7-5-13/h9-10,13-14,22H,2-8,11H2,1H3,(H2,21,29)(H,24,30)(H,25,26)
InChIKeyRQVBLZOPKCDABJ-UHFFFAOYSA-N
XLogP1.17
TPSA138.16 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.57
LogP ≤ 51.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-[(3R)-3-(pyrrolidine-3-carbonylamino)piperidin-1-yl]pyrazine-2-carboxamide
CID 155059796
5-[(3R)-3-aminopiperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[(3R)-3-(cyclohexylcarbamoylamino)piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide
CID 159518448
3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-[3-[(4-propan-2-ylbenzoyl)amino]piperidin-1-yl]pyrazine-2-carboxamide
CID 135361534
ethane;3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-1-ylpyrazine-2-carboxamide;methylurea
CID 144857942
5-[3-[[6-(dimethylamino)pyridine-3-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide
CID 135361970
5-[(3R)-3-aminopiperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[(3R)-3-[(4-tert-butylbenzoyl)amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide
CID 161294354
N-[1-[5-carbamoyl-6-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazin-2-yl]piperidin-3-yl]-1-ethylindole-5-carboxamide
CID 135361829
5-[3-[(4-cyclopropyl-3-fluorobenzoyl)amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide
CID 135361960
5-[3-[(4-cyclopropyl-2-fluorobenzoyl)amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide
CID 135362249
5-[(3R)-3-[[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperidine-4-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide
CID 154680987
5-[(3S)-3-[2-(3-methylphenyl)-2-oxoethyl]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide
CID 157434916
5-[(3R)-3-aminopiperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-[(3S)-3-phenacylpiperidin-1-yl]pyrazine-2-carboxamide
CID 158930475

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-[3-(piperidine-4-carbonylamino)piperidin-1-yl]pyrazine-2-carboxamide?
The IUPAC name of 3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-[3-(piperidine-4-carbonylamino)piperidin-1-yl]pyrazine-2-carboxamide (CID 154680874) is 3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-[3-(piperidine-4-carbonylamino)piperidin-1-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-[3-(piperidine-4-carbonylamino)piperidin-1-yl]pyrazine-2-carboxamide?
The canonical SMILES for 3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-[3-(piperidine-4-carbonylamino)piperidin-1-yl]pyrazine-2-carboxamide is Cc1cc(Nc2nc(N3CCCC(NC(=O)C4CCNCC4)C3)cnc2C(N)=O)sn1.
What is the InChIKey of 3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-[3-(piperidine-4-carbonylamino)piperidin-1-yl]pyrazine-2-carboxamide?
The InChIKey is RQVBLZOPKCDABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N8O2S/c1-12-9-16(31-27-12)26-19-17(18(21)29)23-10-15(25-19)28-8-2-3-14(11-28)24-20(30)13-4-6-22-7-5-13/h9-10,13-14,22H,2-8,11H2,1H3,(H2,21,29)(H,24,30)(H,25,26).
What are the key properties of 3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-[3-(piperidine-4-carbonylamino)piperidin-1-yl]pyrazine-2-carboxamide?
3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-[3-(piperidine-4-carbonylamino)piperidin-1-yl]pyrazine-2-carboxamide has a molecular weight of 444.57 g/mol, XLogP of 1.17, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-[3-(piperidine-4-carbonylamino)piperidin-1-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 154680874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).