5-[(1-amino-3,3-dimethyl-1-oxobutan-2-yl)amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide

C15H21N7O2S — CID 78117048

IUPAC5-[(1-amino-3,3-dimethyl-1-oxobutan-2-yl)amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide
SMILESCc1cc(Nc2nc(NC(C(N)=O)C(C)(C)C)cnc2C(N)=O)sn1
InChIInChI=1S/C15H21N7O2S/c1-7-5-9(25-22-7)21-14-10(12(16)23)18-6-8(20-14)19-11(13(17)24)15(2,3)4/h5-6,11H,1-4H3,(H2,16,23)(H2,17,24)(H2,19,20,21)
InChIKeyFTCJJCMGBYVCKF-UHFFFAOYSA-N
MW363.45 g/mol
LogP1.40
Rot. Bonds6

About 5-[(1-amino-3,3-dimethyl-1-oxobutan-2-yl)amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide

5-[(1-amino-3,3-dimethyl-1-oxobutan-2-yl)amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide (PubChem CID 78117048) has the molecular formula C15H21N7O2S and a molecular weight of 363.45 g/mol. Its IUPAC name is 5-[(1-amino-3,3-dimethyl-1-oxobutan-2-yl)amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(1-amino-3,3-dimethyl-1-oxobutan-2-yl)amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide
PubChem CID78117048
Molecular FormulaC15H21N7O2S
Molecular Weight363.45 g/mol
Exact Mass363.15
IUPAC Name5-[(1-amino-3,3-dimethyl-1-oxobutan-2-yl)amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide
SMILESCc1cc(Nc2nc(NC(C(N)=O)C(C)(C)C)cnc2C(N)=O)sn1
InChIInChI=1S/C15H21N7O2S/c1-7-5-9(25-22-7)21-14-10(12(16)23)18-6-8(20-14)19-11(13(17)24)15(2,3)4/h5-6,11H,1-4H3,(H2,16,23)(H2,17,24)(H2,19,20,21)
InChIKeyFTCJJCMGBYVCKF-UHFFFAOYSA-N
XLogP1.40
TPSA148.91 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
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-[(1-amino-3,3-dimethyl-1-oxobutan-2-yl)amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide?
The IUPAC name of 5-[(1-amino-3,3-dimethyl-1-oxobutan-2-yl)amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide (CID 78117048) is 5-[(1-amino-3,3-dimethyl-1-oxobutan-2-yl)amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide.
What is the SMILES notation for 5-[(1-amino-3,3-dimethyl-1-oxobutan-2-yl)amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide?
The canonical SMILES for 5-[(1-amino-3,3-dimethyl-1-oxobutan-2-yl)amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide is Cc1cc(Nc2nc(NC(C(N)=O)C(C)(C)C)cnc2C(N)=O)sn1.
What is the InChIKey of 5-[(1-amino-3,3-dimethyl-1-oxobutan-2-yl)amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide?
The InChIKey is FTCJJCMGBYVCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7O2S/c1-7-5-9(25-22-7)21-14-10(12(16)23)18-6-8(20-14)19-11(13(17)24)15(2,3)4/h5-6,11H,1-4H3,(H2,16,23)(H2,17,24)(H2,19,20,21).
What are the key properties of 5-[(1-amino-3,3-dimethyl-1-oxobutan-2-yl)amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide?
5-[(1-amino-3,3-dimethyl-1-oxobutan-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, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-amino-3,3-dimethyl-1-oxobutan-2-yl)amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide is sourced from PubChem (CID 78117048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).