5-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide

C15H21N7O2S — CID 71571721

IUPAC5-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide
SMILESCc1cc(Nc2nc(N[C@H](CC(C)C)C(N)=O)cnc2C(N)=O)sn1
InChIInChI=1S/C15H21N7O2S/c1-7(2)4-9(13(16)23)19-10-6-18-12(14(17)24)15(20-10)21-11-5-8(3)22-25-11/h5-7,9H,4H2,1-3H3,(H2,16,23)(H2,17,24)(H2,19,20,21)/t9-/m1/s1
InChIKeyQFNBTORLHXRJCK-SECBINFHSA-N
MW363.45 g/mol
LogP1.40
Rot. Bonds8

About 5-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide

5-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide (PubChem CID 71571721) has the molecular formula C15H21N7O2S and a molecular weight of 363.45 g/mol. Its IUPAC name is 5-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide
PubChem CID71571721
Molecular FormulaC15H21N7O2S
Molecular Weight363.45 g/mol
Exact Mass363.15
IUPAC Name5-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide
SMILESCc1cc(Nc2nc(N[C@H](CC(C)C)C(N)=O)cnc2C(N)=O)sn1
InChIInChI=1S/C15H21N7O2S/c1-7(2)4-9(13(16)23)19-10-6-18-12(14(17)24)15(20-10)21-11-5-8(3)22-25-11/h5-7,9H,4H2,1-3H3,(H2,16,23)(H2,17,24)(H2,19,20,21)/t9-/m1/s1
InChIKeyQFNBTORLHXRJCK-SECBINFHSA-N
XLogP1.40
TPSA148.91 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 51.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide?
The IUPAC name of 5-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide (CID 71571721) is 5-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide.
What is the SMILES notation for 5-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide?
The canonical SMILES for 5-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide is Cc1cc(Nc2nc(N[C@H](CC(C)C)C(N)=O)cnc2C(N)=O)sn1.
What is the InChIKey of 5-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide?
The InChIKey is QFNBTORLHXRJCK-SECBINFHSA-N. The full InChI is InChI=1S/C15H21N7O2S/c1-7(2)4-9(13(16)23)19-10-6-18-12(14(17)24)15(20-10)21-11-5-8(3)22-25-11/h5-7,9H,4H2,1-3H3,(H2,16,23)(H2,17,24)(H2,19,20,21)/t9-/m1/s1.
What are the key properties of 5-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide?
5-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide has a molecular weight of 363.45 g/mol, XLogP of 1.40, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide is sourced from PubChem (CID 71571721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).